New articles on Condensed Matter


[1] 2601.11671

100 Glorious Years of the Ising Model

This is an editorial article based on the reseaches on the Ising model over the last 100 years.


[2] 2601.11682

Universal wrinkling dynamics of a sheet on viscous liquid

We investigate the wrinkling dynamics of a thin elastic sheet that is indented or compressed while floating on a viscous liquid. We show that the deformation speed controls the dynamics, leading to a wrinkle wavelength significantly smaller than that selected under quasistatic compression. Once active compression ceases, the wrinkles coarsen until their wavelength relaxes toward the equilibrium value. We develop a theoretical model coupling Stokes flow in the liquid to elastic bending of the sheet, which quantitatively predicts both the initial wavelength selection and its subsequent coarsening. We demonstrate that the same mechanism governs two dimensional and axisymmetric geometries, thereby extending classical static wavelength selection laws to dynamic situations. Although developed from controlled laboratory experiments, the model captures a generic viscous-elastic coupling and applies broadly to thin elastic films interacting with viscous environments, including the formation of surface wrinkles in pahoehoe lava flows.


[3] 2601.11697

In memoriam J. Robert Dorfman

An obituary of J.R. Dorfman. The focus is on his scientific career and on his many important publications.


[4] 2601.11725

Homogeneous Microwave Delivery for Quantum Sensing with Nitrogen-Vacancy Centers at High Pressures

Nitrogen vacancy (NV) centers have been demonstrated as a useful tool in high pressure environments. However, the geometry and small working area of the diamond anvil cells (DACs) used to apply pressure present a challenge to effective delivery of microwave (mw) fields. We designed and characterized a novel slotted design for mw transmission to nitrogen-vacancy centers (NVs) in a diamond anvil cell via zero-field and in-field optically detected magnetic resonance (ODMR) measurements across pressures between 1 and 48 GPa. The mw fields experienced by NVs across the diamond culet was calculated from Rabi frequency and found to be higher and more uniform than those generated by an equivalent simple mw line, which will improve performance for wide-field, high-pressure measurements to probe spatial variations across samples under pressure.


[5] 2601.11726

Chemical Vapor Deposition Growth and Characterization of ReSe2

Two-dimensional (2D) flakes of ReSe2 structure were grown by chemical vapor deposition and investigated at room temperature using Raman, photoluminescence, and absorption spectroscopies. The Raman spectra revealed eighteen phonon modes in the range of 100-300 cm-1 that were found in good agreement with the density functional theory (DFT) calculations. The thickness profiles of the ReSe2 flakes are in the range of 5-50 nm. The ReSe2 crystal structure and morphology were investigated using XRD, atomic force microscopy and scanning electron microscopy. The energy dispersion spectroscopy confirmed the 1:2 elemental composition. The absorption spectra were obtained for ReSe2 flakes and found to exhibit excitonic peaks in the spectral region of 885 - 942 nm. These peaks are used to define the band gap of the material. The DFT calculations predicted an indirect bandgap of 0.88 eV for the bulk structure, while a direct bandgap of 1.26 eV was predicted for the monolayer.


[6] 2601.11775

Quantum Kernel Machine Learning for Autonomous Materials Science

Autonomous materials science, where active learning is used to navigate large compositional phase space, has emerged as a powerful vehicle to rapidly explore new materials. A crucial aspect of autonomous materials science is exploring new materials using as little data as possible. Gaussian process-based active learning allows effective charting of multi-dimensional parameter space with a limited number of training data, and thus is a common algorithmic choice for autonomous materials science. An integral part of the autonomous workflow is the application of kernel functions for quantifying similarities among measured data points. A recent theoretical breakthrough has shown that quantum kernel models can achieve similar performance with less training data than classical models. This signals the possible advantage of applying quantum kernel machine learning to autonomous materials discovery. In this work, we compare quantum and classical kernels for their utility in sequential phase space navigation for autonomous materials science. Specifically, we compute a quantum kernel and several classical kernels for x-ray diffraction patterns taken from an Fe-Ga-Pd ternary composition spread library. We conduct our study on both IonQ's Aria trapped ion quantum computer hardware and the corresponding classical noisy simulator. We experimentally verify that a quantum kernel model can outperform some classical kernel models. The results highlight the potential of quantum kernel machine learning methods for accelerating materials discovery and suggest complex x-ray diffraction data is a candidate for robust quantum kernel model advantage.


[7] 2601.11793

Deriving a comprehensive dataset of optical constants for metal halide perovskites

Accurate optical constants are essential for modelling light propagation, absorption, and ultimately photovoltaic performance in state of the art perovskite solar cells and is especially important for multiple junction or tandem cells. However, available datasets for metal halide perovskites remain sparse, inconsistent in quality, and often suffer from unphysical sub bandgap extinction caused by surface roughness and limitations of conventional ellipsometry fits. Here, we present a comprehensive library of complex refractive indices (n,k) for a technologically relevant set of FA based lead perovskites, spanning bromide compositions from 0 to 100 percent, and mixed Pb Sn perovskites with Sn fractions from 0 to 60 %. Using state of the art fabrication protocols that yield high quality films, we combine variable angle spectroscopic ellipsometry measurements with highly sensitive sub bandgap probes, including photothermal deflection spectroscopy for neat lead based perovskites and Fourier transform photocurrent spectroscopy for Pb Sn alloys, to reconstruct fully zeroed dielectric functions across and below the band edge. The measured data are then stitched and recalculated via a Kramers Kronig consistent framework, ensuring physically accurate behaviour across the full spectral range. Finally, we introduce a transformation based interpolation scheme that preserves spectral shape and feature alignment, enabling reliable determination of (n,k) for any intermediate composition or band gap. This complete dataset and interpolation protocol provide a standardized foundation for optical modelling of perovskite and tandem solar cells, addressing longstanding data gaps and supporting accurate simulations of next generation photovoltaic architectures.


[8] 2601.11796

Discovery of Van Hove Singularities: Electronic Fingerprints of 3Q Magnetic Order in a van der Waals Quantum Magnet

Magnetically intercalated transition metal dichalcogenides are emerging as a rich platform for exploring exotic quantum states in van der Waals magnets. Among them, CoxTaS2 has attracted intense interest following the recent discovery of a distinctive 3Q magnetic ground state and a pronounced anomalous Hall effect below a critical doping of x=1/3, both intimately tied to cobalt concentration. To date, direct signatures of this enigmatic 3Q magnetic order in the electronic structure remain elusive. Here we report a comprehensive doping dependent angle resolved photoemission spectroscopy study that unveils these long-sought fingerprints. Our data reveal an unexpected "inverse Mexican hat" dispersion along the K-M-K direction, accompanied by two van Hove singularities. These features are consistent with theoretical predictions for a 3Q magnetic order near three-quarters band filling on a cobalt triangular lattice. These results provide evidence of 3Q magnetic order in the electronic structure, establishing TMD van der Waals magnets as tunable materials to explore the interplay between magnetism and topology.


[9] 2601.11798

Spin-Valley Locking in 2H-TaS2 and Its Co-Intercalated Counterpart: Roles of Surface Domains and Co Intercalation

Tuning and probing spin-valley coupling is key to understanding correlated ground states in 2$\it{H}$-TaS$_2$. Its magnetically intercalated analogue, Co$_{1/3}$TaS$_2$, introduces additional degrees of freedom, including modified interlayer coupling and magnetism, to modulate spin-valley physics. Surface-sensitive probes like ARPES are essential for accessing surface spin texture, yet previous studies on 2$\it{H}$-TMDs have reported conflicting results regarding spin-polarized bands, leaving open whether these discrepancies are intrinsic or extrinsic. Here we performed spatially resolved spin-ARPES measurements on 2$\it{H}$-TaS$_2$ and Co$_{1/3}$TaS$_2$. Our results reveal robust spin-valley locking on both compounds. Importantly, Co intercalation enhances interlayer hybridization and introduces magnetism while preserving the TaS$_2$-derived spin texture. We further observe a spatial reversal of the out-of-plane spin polarization, which we attribute to different surface domains. This effect complicates quantifying spin textures and may underlie prior inconsistent observations. Our findings provide microscopic insight into how interlayer interactions and surface domains together govern spin-valley phenomena in layered TMDs.


[10] 2601.11818

Reversible to Irreversible Transitions in Pattern-Forming Systems with Cyclic Interactions

Transitions from reversible to irreversible or fluctuating states above a critical density and shear amplitude have been extensively studied in non-thermal cyclically sheared suspensions and amorphous solids. Here, we propose that the same type of reversible to irreversible transition occurs for a system of particles with competing short-range attraction and long-range repulsion, which can form crystals, stripes, and bubbles as the ratio of attraction to repulsion varies. By oscillating the strength of the attractive part of the potential, we find that the system can organize into either time-periodic states consisting of nondiffusive complex closed orbits, or into a diffusive fluctuating state. A critical point separates these states as a function of the maximum strength of the attraction, oscillation frequency, and particle density. We also find a re-entrant behavior of the reversible state as a function of the strength of the attraction and the oscillation frequency.


[11] 2601.11843

Self-organized defect-phases along dislocations in irradiated alloys

Patterning of precipitates along dislocation lines arising from nonequilibrium segregation during ion irradiation is investigated in model binary alloys. Lattice kinetic Monte Carlo simulations reveal that the competition between solute advection by point defects to the dislocation and thermal diffusion along the dislocation can stabilize self-organized nanostructures with distinct morphologies, including tubes and quasi-periodic necklaces. The stabilization of nano-necklaces is rationalized by heavy-tail power-law distributions for solute redistribution along the dislocation due to advection.


[12] 2601.11849

Local Structure of Epitaxial Single Crystal UO$_{2+x}$ Thin Films

The influence of oxygen stoichiometry on the uranium local environment is explored in epitaxial single crystal uranium oxide thin films grown by DC magnetron sputtering. Through post-growth annealing, the stoichiometry of as-grown UO$_{2}$ films are tuned over an approximate stoichiometry range of $0.07 \leq x \leq 0.20$, estimated with X-ray photoelectron spectroscopy measurements of the U$-4f$ and O$-1s$ peaks. The local structure of the thin films are then probed using extended X-ray absorption fine structure measurements at the U $L_{3}$ absorption edge. We observe both the evolution of the U local environment of as a function of oxidation in UO$_{2+x}$, and that the near stoichiometric UO$_{2}$ film replicates the local structure of bulk UO$_{2}$ material standards well. The series of stoichiometrically varied samples highlights the non-trivial transitional behaviour of the UO$_{2+x}$ oxygen sublattice with increasing oxygen content in this stoichiometric regime, while also demonstrating the efficacy of this thin film synthesis route for actinide studies beyond their established use as idealised surfaces, which could be readily adapted for further stoichiometrically tailored material studies and UO$_{2+x}$ device fabrication.


[13] 2601.11891

Transition Metal Dichalcogenide MoS${}_2$: oxygen and fluorine functionalization for selective plasma processing

Low-temperature plasma processing is a promising technique for tailoring the properties of transition metal dichalcogenides (TMDs) because it allows for precise control of radical and ion energies and fluxes. For chalcogen substitution, a key challenge is to identify the ion energy window that enables selective chalcogen removal while preserving the metal lattice. Using ab-initio molecular dynamics (AIMD), we demonstrate that oxygen and fluorine functionalization through thermal chemisorption significantly lowers the sputtering energy threshold ($E_{sputt}$) of MoS${}_2$ from $\sim 35$ eV to $\sim 10$ eV. In addition, we find that a non-orthogonal impact angle $\sim 30{}^{\circ}$ reduces the sputtering energy threshold, while cryogenic-range TMD temperatures may increase. To explain the observed trends, a multi-step sputtering mechanism is proposed. Our results show that oxygen/fluorine functionalization, impact angle, and material temperature are key control parameters for selective, damage-free chalcogen removal in TMD processing.


[14] 2601.11899

Thermodynamic assessment of the Ba-La-S and Ga-La-S systems

This paper presents the first thermodynamic assessment of binary and pseudo-binary phase diagrams in the Ba--La--S and Ga--La--S systems by means of the CALPHAD method. Experimental phase diagram equilibrium data and thermodynamic properties available from the literature were critically reviewed and assessed using thermodynamic models for the Gibbs energies of individual phases. The associated solution model was used to describe the short-range ordering behavior of the liquid phases. To supplement the limited experimental data reported in the literature, ab initio molecular dynamics calculations were employed to derive mixing enthalpies of the liquid phases in the binary subsystems. The resulting phase diagrams and calculated thermodynamic properties show good agreement with available literature within the investigated compositional ranges of binary and pseudo-binary systems.


[15] 2601.11914

Exciton-polaron Umklapp scattering in Wigner crystals

Strong Coulomb interactions in two-dimensional (2D) semiconductors give rise to tightly bound excitons, exciton polarons, and correlated electronic phases such as Wigner crystals (WCs), yet their mutual interplay remains poorly understood. Here we report the observation of multi-branch excitonic Umklapp scattering in both electron and hole WCs realized in ultraclean monolayer WSe$_2$, exhibiting exceptionally high melting temperatures (T$_c$ $\approx$ 20-30 K). Robust Wigner crystallization activates multiple finite-momentum optical resonances, including quasilinearly dispersing, light-like excitons and exciton polarons, extending far beyond the single excitonic Umklapp feature reported previously. Helicity-resolved magneto-optical measurements reveal a pronounced valley dependence of the scattering processes. Combined experiment and theory identify a polaron-induced brightening mechanism in which exciton polarons transfer oscillator strength from bright zero-momentum states to otherwise dark finite-momentum states, explaining the emergence of multiple Umklapp branches where conventional exciton-WC scattering is ineffective. These results establish WC polarons as a new quasiparticle paradigm and introduce polaron-induced Umklapp scattering as a general route to accessing finite-momentum many-body excitations in 2D quantum materials.


[16] 2601.11921

Laughlin pumping assisted by surface acoustic waves

The quantum Hall effect is a fascinating electrical transport phenomenon signified by precise quantization of Hall conductivity $\sigma_\mathrm{xy}$ and vanishing longitudinal conductivity $\sigma_\mathrm{xx}$. Laughlin proposed an elegant explanation in which adiabatic insertion of a flux tube pumps charge through the system. This analysis unveils the fundamental role of gauge invariance and provides a compelling argument about the fractional charge of fractional quantum Hall states. While it has been used extensively as a theoretical tool, a quantitative experimental investigation is lacking despite multiple attempts. Here we report successful realizations of Laughlin pumping in several integer and fractional quantum Hall states. One essential technical innovation is using surface acoustic waves to periodically clear the charges accumulated during the pumping process. Magnetic fluxes are inserted at a constant rate so there is no need to perform complicated data fitting. Furthermore, our setting can reliably extract $\sigma_\mathrm{xx}$ that is several orders of magnitude lower than the limit of conventional techniques. Effective energy gaps can be deduced from the temperature dependence of $\sigma_\mathrm{xx}$, which are drastically different from those provided by conventional transport data. This work not only brings a famous gedanken experiment to reality but also serves as a portal for many future investigations.


[17] 2601.11965

Far tails of the biased CTRW model under the short time limit

It has been observed in numerous experiments, simulations, and various theoretical treatments that the spreading of particles can be modeled by the continuous-time random walk. We consider two well-known cases, i.e., Gaussian displacements and discrete displacements, to compute the position distribution and demonstrate the emergence of exponential decay in the far tails when a bias is introduced. We further analyze the temporal rate function and the positional rate function to examine the convergence of the theoretical predictions. For Gaussian displacements, we further discuss the relationship between the position distributions with and without bias in different asymptotic limits.


[18] 2601.11993

Magnetoexcitons and Massive Dirac Fermions in Monolayers of Transition Metal Dichalcogenides in a High Magnetic Field

We present a theory of the emission spectrum of magnetoexcitons interacting with a $\nu = 1$ quantum Hall state of massive Dirac fermions in monolayer transition metal dichalcogenides in high magnetic fields. Using an ab initio-parametrized massive Dirac fermion model including valley and spin degrees of freedom, combined with exact diagonalization techniques, we show that interband emission from the massive Dirac Fermion magnetoexciton interacting with $\nu = 1$ state directly probes intra-conduction-band excitations of the $\nu = 1$. Many-body interactions with the filled massive Dirac fermion $\nu = 1$ level yield a strong renormalization of the emission spectrum, including fully polarized emission, a pronounced redshift, and broadening relative to neutral and charged excitons. The calculated spectra are consistent with recent experiments [1-3], establishing magneto-spectroscopy as a probe of finite carrier densities in massive Dirac systems.


[19] 2601.12001

Topological transitions in the presence of quenched uncorrelated disorder

We address issues related to the presence of defects at topological transitions, in particular when defects are modeled in terms of further variables associated with a quenched disorder, corresponding to the limit in which the defect dynamics is very slow. As a paradigmatic model, we consider the three-dimensional lattice ${\mathbb Z}_2$ gauge model in the presence of quenched uncorrelated disorder associated with the plaquettes of the lattice, whose topological transitions are characterized by the absence of a local order parameter. We study the critical behaviors in the presence of weak disorder. We show that they belong to a new topological universality class, different from that of the lattice ${\mathbb Z}_2$ gauge models without disorder, in agreement with the Harris criterium for the relevance of uncorrelated quenched disorder when the pure system undergoes a continuous transition with positive specific-heat critical exponent.


[20] 2601.12004

The CP-PAW code package for first-principles calculations from a user's perspective

CP-PAW is a combined electronic structure and ab-initio molecular dynamics code to perform mixed quantum and classical simulations of atomistic condensed phase systems, such as solids, liquids, and molecular systems. As the name suggests, the CP-PAW code unifies the all-electron projector augmented-wave method with the Car-Parrinello approach to determine not only the electronic and nuclear ground state of condensed matter, but also to study their properties and dynamics. In addition to briefly outlining the underlying theory, the focus will be on unique aspects of CP-PAW and how to correctly employ them as a user. How to install CP-PAW using the new build system will also be briefly mentioned.


[21] 2601.12022

Robustness of the Kohn-Luttinger mechanism against symmetry breaking

We investigate how strongly broken spatial symmetries affect the Kohn--Luttinger (KL) mechanism, in which superconductivity emerges purely from repulsive interactions. While the original KL argument assumes continuous rotational symmetry, real materials possess only discrete point-group symmetries, raising a central question: can sufficiently strong symmetry breaking suppress or eliminate KL superconductivity? Using controlled perturbation theory and explicit two-dimensional models with Ising and Rashba spin--orbit coupling (SOC), we find that KL superconductivity is broadly robust and exhibits qualitatively universal behavior across models: the transition temperature $T_c$ is nonmonotonic in the symmetry-breaking field, shows a pronounced maximum at scales of the order of the Fermi energy, and decays exponentially toward zero at asymptotically large fields. However, the physical mechanisms determining this suppression may differ between models. Overall, these results demonstrate that KL-type superconductivity can persist across a wide class of spin--orbit-coupled systems.


[22] 2601.12047

Spin-dependent Raman and Brillouin light scattering on excitons in CsPbBr$_3$ perovskite crystals

The spin properties of excitons and charge carriers in CsPbBr$_3$ lead halide perovskite crystals are investigated by spin-dependent light scattering in magnetic fields up to 10 T. Spin-flip Raman scattering spectra measured under resonant excitation of exciton-polaritons show a rich variety of features provided by the Zeeman splittings of excitons and of electrons and holes interacting with the excitons. The magnitudes and anisotropies of their Landé $g$-factors are measured. A detailed consideration of the responsible mechanisms is presented and discussed in relation to the experimental data, in particular on the polarization properties of the Raman spectra. We consider several mechanisms for the combined spin-flip Raman scattering processes involving resident carriers and photoexcited excitons and suggest new ones, involving trions in the intermediate scattering state. A double electron spin-flip caused by the exciton interaction with two localized or donor-bound electrons is revealed. The spectral lines of Brillouin light scattering on exciton-polaritons shift in energy and become polarization-sensitive in magnetic field, evidencing the splitting of the exciton-polariton dispersion.


[23] 2601.12060

Electric Charge Transport and Dielectric Properties of the Barium Titanate Ceramics Obtained by Spark-Plasma Sintering with Different Controlled Carbon Content

Barium titanate (BaTiO3) ceramics with a different controlled content of carbon were synthesized by spark-plasma sintering (SPS) at the temperature of 1100 C in vacuum under pressure. The concentration and distribution of carbon impurity inside the samples is estimated by scanning electron microscopy (SEM). The resistivity vs temperature and electric field dependences of the SPS ceramics with different carbon concentration have been studied. It is shown that their conduction is determined by the variable range hopping mechanism and obeys the Mott law. The density of localized states and localization radius of the electron wave function are determined. The difference in low-temperature resistivity of the SPS ceramics is caused by carbon concentration and connected with it variation of the dielectric permittivity. The relative dielectric permittivity of the SPS ceramics is colossal and reaches the values of 10^5 - 10^6 order. The larger carbon concentration is, the smaller the permittivity and resistivity are within the Mott hopping conduction temperature range. In the range from 250 K to 408 K one observes that the dielectric permittivity strongly increases forming a maximum in all samples, which may be related to the phase transition. Along with this, resistivity manifests a simultaneous sharp decrease. The decrease of resistivity along with the characteristic dependence of resistivity vs dielectric permittivity in the Mott conduction temperature range, evidences the validity of Heywang model for the description of SPS ceramics conduction mechanisms. The resistivity strongly decreases with increasing frequency in the AC regime, which agrees both with models of hopping conduction and effects based on the Maxwell-Wagner model. The studied SPS BaTiO3 ceramics are attractive for applications in energy storage and sensorics.


[24] 2601.12069

Space-resolved stress correlations and viscoelastic moduli for polydisperse systems: the faces of the stress noise

Several advances in the theory of space-resolved viscoelasticity of liquids and other amorphous systems are discussed in the present paper. In particular, considering long-time regimes of stress relaxation in liquids we obtain the generalized compressibility equation valid for systems with mass polydispersity, and derive a new relation allowing to calculate the wavevector-dependent equilibrium transverse modulus in terms of the generalized structure factors. Turning to the basic relations between the spatially-resolved relaxation moduli and the spatio-temporal correlation functions of the stress tensor, we provide their new derivation based on a conceptually simple argument that does not involve consideration of non-stationary processes. We also elucidate the relationship between the stress noise associated with the classical Newtonian dynamics and the reduced deviatoric stress coming from the Zwanzig-Mori projection operator formalism. The general relations between the stress noise and the tensor of relaxation moduli are discussed as well.


[25] 2601.12073

Ratchet effect in lateral plasmonic crystal: Giant enhancement due to interference of "bright" and "dark" modes

We develop a theory of the ratchet effect in a lateral plasmonic crystal (LPC) formed by a two dimensional electron gas under a periodic dual-grating gate. The system is driven by terahertz radiation, and the spatial asymmetry required for the generation of dc photocurrent is introduced by a phase shift between the radiation's near-field modulation and the static electron density profile. In contrast to the commonly used perturbative "minimal model" of the ratchet effect, which assumes weak density modulation, we solve the problem exactly with respect to the static gate-induced potential while treating the radiation field perturbatively. This approach reveals a dramatic enhancement of the plasmonic contribution to the ratchet current due to the interference of "bright" and "dark" plasmon modes, which are excited on an equal footing in the asymmetric LPC. Specifically, we predict a parametric growth of the plasmonic peak as compared with the Drude peak with increasing coupling, and the appearance of a dense super-resonant structure when the spacing between plasmonic sub-bands becomes larger than the damping rate. Hence, the dc response exhibits both resonant and super-resonant regimes observed in recent experiments on the radiation transmission through the LPC. The interplay of bright and dark modes, together with their interference, provides a powerful mechanism for controlling the magnitude and sign of the photocurrent by gate voltages and the radiation frequency.


[26] 2601.12102

Measurement-induced crossover in quantum first-detection times

The quantum first-detection problem concerns the statistics of the time at which a system, subject to repeated measurements, is observed in a prescribed target state for the first time. Unlike its classical counterpart, the measurement back action intrinsic to quantum mechanics may profoundly alter the system dynamics. Here we show that it induces a distinct change in the statistics of the first-detection time. For a quantum particle in one spatial dimension subject to stroboscopic measurements, we observe an algebraic decay of the probability of the first-detection time if the particle is free, an exponential decay in the presence of a confining potential, and a time-dependent crossover between these behaviors if the particle is partially confined. This crossover reflects the purely quantum nature of the detection process, which fundamentally distinguishes it from the first-passage problem in classical systems.


[27] 2601.12103

Single-Atom Tuning of Structural and Optoelectronic Properties in Halogenated Anthracene-Based Covalent Organic Frameworks

Strategies for tuning structural and (opto-)electronic properties are fundamental to the rational design of functional materials. Here, we present a molecular design approach for precisely modulating the optoelectronic properties of covalent organic frameworks (COFs) through single-atom halogen substitution on $\pi$-extended anthracene linkers. Using a Wurster-type tetratopic amine (W-NH$_2$) and a series of anthracene-based dialdehydes bearing H, Cl, Br, or I at the 2-position, a family of imine-linked COFs, W-A-X (X = H, Cl, Br, I), was synthesized, all displaying well-ordered porous structures. The halogen substituent strongly influences framework formation, with brominated COFs forming substantially larger crystalline domains than their chloro- and iodo-functionalized analogues. UV-vis absorption and photoluminescence measurements reveal a systematic redshift across the series $(\mathrm{H < Cl < Br < I})$, demonstrating that a single-atom modification effectively tunes the optical response. Time-dependent density functional theory calculations on both isolated fragments and extended COF models attribute these trends to halogen-induced changes in the COF band structure and provide a mechanistic understanding of how single-atom substitution influences the optoelectronic properties of the extended $\pi$-framework. Overall, this study establishes single-atom halogen substitution as a powerful and modular strategy for tailoring the structural and optical properties of anthracene-based COFs.


[28] 2601.12135

Stochastic dynamics from maximum entropy in action space

We develop an information-theoretic formulation of stochastic dynamics in which the fundamental stochastic variable is the total action connecting spacetime points, rather than individual paths. By maximizing Shannon entropy over a joint distribution of actions and endpoints, subject to normalization and a constraint on the mean action, we obtain a Boltzmann-like distribution in action space. This framework reproduces the standard Brownian propagator in the nonrelativistic limit and naturally extends to relativistic regimes, where the Wiener construction fails to preserve Lorentz covariance. The approach bypasses functional integration over paths, makes the role of entropic degeneracy explicit through an action-space density of states, and provides a transparent connection between the principle of least action and statistical inference. We derive the density of states explicitly using large deviation theory, showing that it takes a Gaussian form centered at the minimal action, and rigorously justify the saddle-point approximation in the diffusive regime. The Markovian property of the resulting propagator is verified to hold via the Chapman--Kolmogorov equation, following from the additivity of the minimal action for free-particle dynamics. In the diffusive regime, the resulting dynamics are governed by a competition between extremization of the action and entropic effects, which can be interpreted in terms of an effective action free energy. Our results establish an unified, covariant, and information-based foundation for classical and relativistic stochastic processes.


[29] 2601.12151

Significant impact of Al1-xGaxN interlayer on GaN/AlN thermal boundary conductance

AlN-GaN heterostructures are central to high-power and high-frequency electronics, including RF devices, power converters, and AI accelerators. An intermediate Al1-xGaxN (AlGaN) layer is often present, either unintentionally during growth or intentionally to induce a 2D electron gas, yet its impact on the interfacial thermal boundary conductance (TBC) remains unknown due to the lack of reliable measurement or modeling methods. Here, we report a first principles-based evaluation of the TBCs of AlN-AlGaN, AlGaN-GaN, and AlN-AlGaN-GaN interfaces over the full alloy range. This is realized by the development of accurate deep learning interatomic potentials based on first-principles simulations. Contrary to other material systems where mixed interlayers enhance thermal coupling, we find that an AlGaN interlayer markedly degrades TBC between GaN and AlN, explaining the observation in experiments. Finally, we show that if the Al composition is sigmoidally transitioned from 0 to 1 across the AlN-GaN interface, it can remarkably increase the TBC, compared to an abrupt or a linear transition. This work is expected to shed light on an accurate thermal analysis and electro-thermal co-design of future AlGaN-based devices.


[30] 2601.12160

Observation of correlated plasmons in low-valence nickelates

The discovery of nickelate superconductors has opened a new arena for studying the behavior of correlated electron liquids that give rise to unconventional superconductivity. While critical information about a material's charge dynamics is encoded in its plasmons, collective modes of the electron gas, these excitations have not yet been observed in nickelate materials. Here, we use resonant inelastic x-ray scattering (RIXS) to detect plasmons in the metallic, low-valence nickelate Pr4Ni3O8. Although qualitatively similar to those in cuprates, the nickelate plasmons are more heavily damped and have a lower velocity than those in a cuprate at comparable doping, which we attribute to reduced electronic hopping and enhanced screening of the long-range Coulomb interactions. Furthermore, the plasmons in Pr4Ni3O8 soften with increasing temperature, in contrast to the cuprate, where plasmons remain at nearly fixed energy but become more strongly damped. Taken together, these results reveal a distinct charge-screening landscape in nickelates and place quantitative constraints on analogies to cuprates.


[31] 2601.12170

Reentrant superconductivity and Stoner boundaries in twisted WSe$_2$

We investigate spin-valley instabilities and their connection to the reentrant superconducting states recently observed in the twisted bilayer dichalcogenide WSe$_2$ at a $5^o$ twist angle. Starting from an effective three-orbital faithful Wannier model for the spin-locked moiré bands, combined with orbital-dependent Hubbard interactions, we analyze the evolution of magnetic instabilities as a function of carrier density using the matrix random phase approximation (mRPA) approach. By computing the Stoner boundary lines from the spin-valley susceptibilities over the electric-field by hole filling phase diagram, we show that the spin-valley instabilities result in ordered states in the region close to the Lifshitz transition at the topmost moiré valence band, marked by crossing of the van Hove singularity in the density of states. These spin-valley ordered states are dominated by interorbital spin-valley-flips involving the $MM$ and $MX$ moiré orbitals and occur at different momenta in each side of the van Hove line, indicating a distinct spatial dependence of the spin-valley order parameter depending on the hole filling. Moreover, the corresponding Stoner boundaries exhibit strong fluctuations on its flanks, which can favor superconducting states in the regions close to the spin-valley-ordered ones. This mechanism provides a natural description for a reentrant superconducting dome consistent with the experimental results. As such, our results suggest spin-valley fluctuations near the van-Hove line as the microscopic origin of the reentrant superconductivity in twisted WSe$_2$.


[32] 2601.12184

Thermodynamic and electronic properties of rutile Sn$_{1-x}$Ge$_x$O$_2$ alloys from first principles

Rutile Sn$_{1-x}$Ge$_x$O$_{2}$ alloys are promising materials for high-power electronic applications due to their dopability and tunable ultra-wide band gaps. We use first-principles density functional theory and statistical mechanics to investigate the crystallographic, electronic, and thermodynamic properties of rutile $\text{Sn}_{1-x}\text{Ge}_x\text{O}_2$ alloys. We predict that the lattice parameters follow Vegard's law, while band gaps calculated with the hybrid HSE06 functional exhibit strong bowing, consistent with experiment. We also predict that the disordered phase has a large positive mixing enthalpy and a slight tendency for Ge-Sn clustering, indicated by weakly negative short-range order parameters. This large positive mixing enthalpy produces a miscibility gap with a critical temperature above 2300 K, implying that the high Ge and Sn solubilities observed in thin-film synthesis cannot be explained by the incoherent phase diagram alone. We demonstrate that coherency strain during epitaxial growth substantially alters phase stability. Calculations of the coherent spinodal show significant suppression of the miscibility gap, reducing the critical temperature to $\approx 900$ K. These coherent phase boundaries account for the experimentally observed high solubilities at typical growth temperatures. Our results indicate that coherency strain stabilizes these metastable alloys and enables bandgap engineering in this ultrawide-bandgap material system.


[33] 2601.12202

Intrinsic ductility enhancement in Mg alloys elucidated via large-scale ab-initio calculations

Magnesium is the lightest structural alloy, yet its practical use is limited by its low ductility. Recent studies suggest ductility enhancement in dilute Mg alloys may stem from favorable solute modification of pyramidal I/II screw dislocation core energy difference, activating slip via a double cross-slip mechanism. This work conducts large-scale DFT calculations, reaching ~6,000 atoms, of dislocation energetics in Mg and Mg-Y/Zn alloys. We find that relative solute strengthening effects on pyramidal I and II screw dislocation glide are crucial for cross-slip enhancement in Mg-Y, in contrast to prior investigations, that find solute-mediated dislocation-core energy modification as the main driver. Our predictions align with single- and poly-crystal experimental results and also capture the transition from pyramidal II to I preferred slip in Mg-Y.


[34] 2601.12214

Atomic Alignment in PbS Nanocrystal Superlattices with Compact Inorganic Ligands via Reversible Oriented Attachment of Nanocrystals

Nanocrystals (NCs) serve as versatile building blocks for the creation of functional materials, with NC self-assembly offering opportunities to enable novel material properties. Here, we demonstrate that PbS NCs functionalized with strongly negatively charged metal chalcogenide complex (MCC) ligands, such as $Sn_2S_6^{4-}$ and $AsS_4^{3-}$, can self-assemble into all-inorganic superlattices with both long-range superlattice translational and atomic-lattice orientational order. Structural characterizations reveal that the NCs adopt unexpected edge-to-edge alignment, and numerical simulation clarifies that orientational order is thermodynamically stabilized by many-body ion correlations originating from the dense electrolyte. Furthermore, we show that the superlattices of $Sn_2S_6^{4-}$-functionalized PbS NCs can be fully disassembled back into the colloidal state, which is highly unusual for orientationally attached superlattices with atomic-lattice alignment. The reversible oriented attachment of NCs, enabling their dynamic assembly and disassembly into effectively single-crystalline superstructures, offers a pathway toward designing reconfigurable materials with adaptive and controllable electronic and optoelectronic properties.


[35] 2601.12223

${\bf \frac{h}{e}}$ flux quantization in metals due to Berry phase coherence

Berry curvature does not show itself in the relative phase correlation of wave-functions at different spatial points in a metal unless the fermions have closed trajectories in momentum space, for example those around isolated impurities. But these, just as the Bloch phase correlations, disappear at lengths larger than the diffusion length. If a quasi-two dimensional metal with Berry curvature has a set of domains, their boundaries necessarily carry chiral currents precluding back-ward scattering. The Berry induced phase coherence then persists over length scales of order the scale at which the chiral one-dimensional states scatter into the bulk states, which can be macroscopic. The conditions for their occurrence and the lengths and the orientation of such states are derived. These calculations are used to understand the remarkable aspects of a recent experiment in an anisotropic metal, reported to have loop-current order, with mean-free path of about 0.01 $\mu$m which exhibits flux quantization in some transport properties over lengths of several $\mu$m. %It is also shown that generating the appropriately oriented channels in the plane by the field applied is plausible.


[36] 2601.12237

Enhanced Interlayer Coupling and Excitons in Twin-Stacked Two-Dimensional Magnetic CrSBr Bilayers

The degree of electronic coupling between individual layers in few-layer van der Waals heterostructures offers a route to engineer their magnetic, electronic, and optical functionalities. Using state-of-the-art first-principles calculations, we demonstrate that the electronic coupling between two monolayers of CrSBr, an anisotropic two-dimensional magnetic semiconductor, is highly nonlinear and nonmonotonic with respect to their relative twist angle, exhibiting a pronounced maximum at the twin-stacking configuration. The coupling strength scales with both the degree of overlap of Br orbitals adjacent to the van der Waals gap and the cosine of half of the interlayer spin angle. This enhanced interlayer electronic coupling gives rise to excitons delocalized across the two layers with a strong polarization dependence that reflects the details of the interlayer spin alignment. Our results reveal a sensitive interplay between twist angle, magnetism, and excitonic properties in twin-stacked CrSBr bilayers, and they establish twin stacking as an effective route to engineering interlayer coupling and optical response in anisotropic two-dimensional magnets with rectangular lattices.


[37] 2601.12264

Quaternionic superconductivity with a single-field Bogoliubov-de Gennes--Ginzburg-Landau framework and charge-4e couplings

We recast spinful superconductivity as a quaternion field theory -- where a quaternion is a four-component hypercomplex number with units $(\boldsymbol{i},\boldsymbol{j},\boldsymbol{k})$ -- that encodes the spin-singlet/triplet gap in a single field $q(\mathbf{k})$. This yields a compact Bogoliubov--de Gennes (BdG) Hamiltonian $H_{\rm BdG}=\xi_{\mathbf{k}}\tau_z+\tau_{+}q+\tau_{-}\,\overline{q}$ and keeps time-reversal symmetry, Altland-Zirnbauer classification, and topological diagnostics in the same variables. We introduce a quarteting field $Q\propto\mathrm{Sc}(q^2)$ and a minimal Ginzburg-Landau (GL) functional with covariant derivatives $(\nabla-2ie\mathbf{A})q$ and $(\nabla-4ie\mathbf{A})Q$. Analytically, a one-loop evaluation of the fluctuation bubble $\Pi(0)$ (with prefactors) gives a quantitative vestigial charge-$4e$ criterion $\mu_{\rm eff}=\mu-g^2\Pi(0)<0$. Numerically, we verify: (i) a two-dimensional (2D) class-DIII lattice model whose $\mathbb{Z}_2$ index, computed directly from $q(\mathbf{k})$ using the matrix Pfaffian of an antisymmetric sewing matrix at time-reversal-invariant momenta (TRIM), matches helical edge spectra; (ii) a GL simulation of a pure-$Q$ vortex carrying $hc/4e$ flux within $\sim2\%$ and exhibiting $\xi_Q\propto\sqrt{\eta/|\mu_{\rm eff}|}$; and (iii) a short-junction current-phase relation with a controlled window where the second harmonic dominates ($I_2\gg I_1$), together with doubled alternating-current (ac) Josephson emission and even-only Shapiro steps. The framework provides a compact, symmetry-faithful route from microscopic pairing to device-level charge-$4e$ signatures.


[38] 2601.12309

Large clusters in a correlated percolation model

We consider a correlated site percolation problem on a cubic lattice of size $L^3$, with $16\le L\le 512$. The sites of an initially full lattice are removed by a random walk of ${\cal N}=uL^3$ steps. When the parameter $u$ crosses a threshold $u_c=3.15$, a large system transitions between percolating and non-percolating states. We study the $L$-dependence of the mean mass (number of sites) $M_r$ of the $r$th largest cluster, as well as $r$-dependence of $M_r$ for various system sizes $L$ at $u_c$. We demonstrate that $M_r\sim L^{5/2}/r^{5/6}$ for moderate or large $L$ and $r\gg 1$, and also conclude that for {\em any} $r$ the fractal dimensions of the clusters are $5/2$.


[39] 2601.12365

Universal and non-universal contributions of entanglement under different bipartitions

Entanglement entropy (EE) is a fundamental probe of quantum phases and critical phenomena, which was thought to reflect only bulk universality for a long time. Very recently, people realized that the microscopic geometry of the entanglement cut can induce distinct entanglement-edge modes, whose coupling to bulk critical fluctuations may alter the scaling of the EE. However, this perception is very qualitative and lacks quantitative consideration. Here, we investigate this problem through high-precision quantum Monte Carlo simulations combined with the analysis of scaling theory to build a quantitative understanding. By considering three distinct bipartitions corresponding to three surface criticality types, we reveal a striking dependence of the constant term {\gamma} on the microscopic cut at the quantum critical point. Notably, cuts that generate extra gapless edge modes yield a sign reversal in {\gamma} compared to those producing gapped edges. We explain this behavior via a modified scaling form that incorporates contributions from both bulk and surface critical modes. Furthermore, we demonstrate that the derivative of EE robustly extracts the bulk critical point and exponent {\nu} regardless of the cut geometry, providing a reliable diagnostic of bulk universality in the presence of strong surface effects. Our work for the first time establishes a direct quantitative connection between surface criticality and entanglement scaling, challenging the conventional view that EE solely reflects bulk properties and offering a refined framework for interpreting entanglement in systems with boundary-sensitive criticality.


[40] 2601.12387

Microscopic origin of orbital magnetization in chiral superconductors

Chiral superconductivity is a time reversal symmetry breaking superconducting phase that has attracted broad interest as a potential platform for topological quantum computation. A fundamental consequence of this symmetry breaking is orbital magnetization, yet a clear microscopic formulation of this quantity has remained elusive. This difficulty arises because Bogoliubov quasiparticles do not carry a definite electric charge, precluding a simple interpretation of orbital magnetization in terms of circulating quasiparticle currents. Moreover, superconductivity and ferromagnetism rarely coexist, and in the few materials where they do (e.g. uranium-based compounds), strong spin-orbit coupling obscures the orbital contribution to the magnetization. The recent report of chiral superconductivity in rhombohedral multilayer graphene, which has negligible spin-orbit coupling, therefore provides a unique opportunity to develop and test a microscopic theory of orbital magnetization in chiral superconductors. Here we develop such a theory, unifying the interband coherence effects underlying normal-state orbital magnetization with the intrinsic orbital moments of the Cooper-pair condensate. Applying our theory to rhombohedral tetralayer graphene, we find that the onset of superconductivity can either enhance or suppress the normal-state orbital magnetization, depending sensitively on the bandstructure. We further identify a generalized clapping mode corresponding to coherent fluctuations between the two opposite chiral windings of the p-wave order parameter, with a gap set by the sublattice winding form factor. This collective mode is unique to chiral superconductors and contributes to the orbital magnetization through its role in dressing the photon vertex. Experimental measurements of the orbital magnetization relative to the quarter-metal phase would provide a direct test of our theory.


[41] 2601.12399

Sub-domain structure in a single crystal of the magnetic topological insulator MnSb2Te4

The domain structure of a MnSb$_2$Te$_4$ single crystal with a Curie temperature $T_C \approx 45~K$ was studied using the high-resolution Bitter decoration technique. Magnetotransport measurements confirm a soft ferromagnetic ordering with a coercive field of $ \sim 100$ Oe. We revealed the formation of a hierarchical domain structure characterized by two distinct spatial scales. These results indicate the existence of two magnetically weakly coupled subsystems -- surface and bulk. The observed sub-domain structure can be attributed to the formation of a ferromagnetic well due to an inhomogeneous distribution of $\mathrm{Mn_{Sb}}$ antisite defects, with an additional contribution from symmetry breaking in the near-surface layer.


[42] 2601.12412

Quasi-one-dimensional soliton in a self-repulsive spin-orbit-coupled dipolar spin-half and spin-one condensates

We study the formation of solitons in a uniform quasi-one-dimensional (quasi-1D) spin-orbit (SO) coupled self-repulsive pseudo spin-half and spin-one dipolar Bose-Einstein condensates (BEC), using the mean-field Gross-Pitaevskii equation. The dipolar atoms are taken to be polarized along the quasi-1D $x$ direction. In the pseudo spin-half case, for small SO-coupling, one can have dark-bright and bright-bright solitons. For large SO coupling, the dark-bright and bright-bright solitons may acquire a spatially-periodic modulation in density; for certain values of contact interaction paramerers there is only the normal bright-bright soliton without spatially-periodic modulation in density. In the spin-one anti-ferromagnetic case, for small SO coupling, one can have bright-bright-bright, dark-bright-dark, and bright-dark-bright solitons; and for large SO coupling, the dark-bright-dark and bright-dark-bright solitons are found to have spatially-periodic modulation in density. In the spin-one ferromagnetic case, for both small and large SO coupling, we find only bright-bright-bright solitons. All these solitons, specially those with a dark-soliton component, are dynamically stable as demonstrated by real-time propagation using the converged stationary solution obtained by imaginary-time propagation as the initial state.


[43] 2601.12420

Transition from conventional ferroelectricity to ion-conduction-like ferroelectricity

The cross-unitcell long displacements in some recent emergent ferroelectrics have actually challenged the classical definition of ferroelectricity, while the relative explorations are still in the early stage and even controversial. In this paper we provide a general model that gives the picture for the evolution and transition from typical ferroelectricity to long displacement ferroelectricity, which is classified into type-I and type-II. In particular, type-I with two switching modes of different barriers may switch between conventional ferroelectricity and ion-conduction-like ferroelectricity depending on various factors including electric field, boundaries, vacancies, temperature, etc.., which is demonstrated by first-principles calculations on {\gamma}-AlOOH and CuInP2S6 as two paradigmatic cases. Intriguingly, their polarizations are nonlocal since the boundaries also determine the switching mode and polarization direction, which can be different for the same given crystal structure. Such type-I can be evolved from conventional ferroelectricity as the migration barrier across unitcell is reduced, and will behave like type-II at elevated temperature as the conventional part becomes paraelectric. These unconventional behaviors can be applicable to various systems, and many previously unclarified phenomena can be well explained.


[44] 2601.12435

Thermo-field entanglement description of Markovian two-state relaxation

We present a unified description of symmetric two-state Markov relaxation and intrinsic entanglement dynamics based on thermo-field dynamics (TFD). A classical two-state Markov process is embedded into a dissipative two-level quantum system by identifying the Markov relaxation rate with the dissipation parameter in a von Neumann equation with a relaxation term. Using the reduced extended density matrix in the TFD formalism, we explicitly separate classical thermal mixing from intrinsic quantum entanglement. For a minimal exchange-like two-level subspace, we obtain a closed-form expression for the intrinsic entanglement component, $b_{qe}(t)=\frac{1}{4}e^{-\lambda t}\sin^2(\omega t)$, demonstrating that a single classical timescale controls the decay envelope of genuine entanglement. We further show that the extended entanglement entropy naturally decomposes into a classical Shannon-type contribution and a purely quantum entanglement contribution, clarifying how stochastic relaxation constrains entanglement loss in a minimal setting.


[45] 2601.12477

A non-equilibrium strategy for the general synthesis of single-atom catalysts

Single-atom catalysts (SACs) maximize atom efficiency and exhibit unique electronic structures, yet realizing precise and scalable atomic dispersion remains a key challenge. Here, we report a non-equilibrium strategy for the scalable synthesis of SACs via ion implantation, enabling precise stabilization of metal atoms on diverse supports. Using an industrial-grade ion source, wafer-scale ion implantation with milliampere-level beam currents enables high-throughput fabrication of SACs, while the synergistic energy-mass effects stabilize isolated metal atoms in situ. A library of 36 SACs was constructed, and the resulting Pt/MoS2 exhibits outstanding hydrogen evolution performance with an overpotential of only 26 mV at 10 mA cm-2 and exceptional long-term stability, surpassing commercial Pt/C. This work demonstrates ion implantation as a versatile platform bridging fundamental SACs design and scalable manufacturing, providing new opportunities for high-performance catalysts in energy conversion applications.


[46] 2601.12487

Influence of leads on signatures of strongly-correlated zero-bias anomaly in double quantum dot measurements

The combination of disorder and interactions is known in many systems to produce a feature in the single-particle density of states, the shape and parameter dependence of which act as signatures of the underlying electronic state. Strong Coulomb repulsion gives rise to a host of novel phenomena, among these is a unique zero-bias anomaly. While understanding of the anomaly in bulk materials remains incomplete, a version of this anomaly can be found in an ensemble of two-site systems and hence has been predicted to be observable in parallel-coupled double quantum dots. However, prior work did not include the influence of the leads. Here we show that the presence of the leads results in changes to the projected stability diagrams but that the signature of the strongly-correlated zero-bias anomaly nonetheless remains clearly visible.


[47] 2601.12490

Accurate and efficient simulation of photoemission spectroscopy via Kohn-Sham scattering states

We introduce an efficient first-principles framework for simulating angle-resolved photoemission spectroscopy (ARPES) by computing photoelectron states as solutions of the Kohn-Sham equation with scattering boundary conditions. This approach is formally equivalent to the Lippmann-Schwinger formalism but offers superior computational efficiency and direct integration with plane-wave or real-space density functional theory. By enabling direct calculation of photoemission matrix elements, our method bridges the gap between intrinsic electronic properties and experimental ARPES spectra. We demonstrate its accuracy through circular dichroism ARPES simulations for monolayer graphene and bulk $2H$-WSe$_2$, achieving excellent agreement with experimental data and highlighting the critical role of pseudopotentials in describing high-energy photoelectron scattering. Our results establish a robust and accessible route for quantitative ARPES modeling, paving the way for advanced studies of orbital textures, many-body effects, and time-resolved photoemission.


[48] 2601.12510

Guided spin wave in monolayer CrSBr: Localization and spin-orbit coupling from dipolar field

Spin-wave spectrum of monolayer CrSBr waveguides was studied by numerically diagonalizing the Bogoliubov-de Gennes Hamiltonian derived from linearising the Landau-Lifshitz-Gilbert equation. In contrast to its short-range counterparts, the long-range dipolar field acts statically as a confining potential for spin wave, while the dynamic part couples the spin and orbit degrees of freedom, thus giving rise to spin-orbit coupling for spin wave. Due to the inversion symmetry of the Hamiltonian and the spinor structure of the wave function, spin-wave eigenstates form doublets with definite parity. Micromagnetic simulation tallies well with numerical calculation. Our study on spin-wave eigenstates in CrSBr waveguides sheds light on the nature of exchange-dipole spin wave in ferromagnetic slabs. We confirm particularly that the robustness of the Damon-Eshbach mode is not derived from topology, but rather from the static dipolar field. Moreover, a thorough knowledge on spin wave in monolayer CrSBr itself represents a step forward to understanding the more complicated antiferromagnetic resonance in bulk CrSBr.


[49] 2601.12521

Zero-phonon line emission of single photon emitters in helium-ion treated MoS$_2$

We explore the zero-phonon line of single photon emitters in helium-ion treated monolayer MoS$_2$, which are currently understood in terms of single sulfur-site vacancies. By comparing the linewidths of the zero-phonon line as extracted directly from optical spectra with values inferred from the first-order autocorrelation function of the photoluminescence, we quantify bounds of the homogeneous broadening and of phonon-assisted contributions. The results are discussed in terms of both the independent boson model and ab-initio results as computed from GW and Bethe-Salpeter equation approximations.


[50] 2601.12532

Study of Twistronics Induced Superconductivity in Twisted Bilayer Graphene

This work investigates the electronic properties of twisted bilayer graphene (TBG) through computational calculations, with the aim of understanding the emergence of flat bands and conditions favorable for superconductivity close to the magic angle. This study utilizes a k\cdot p continuum model, and the low-energy Hamiltonians are derived from angle-dependent datasets provided by Carr et al. Using this model, the band structure, density of states (DoS), and Fermi velocity are systematically calculated across a range of twist angles. The calculations are performed by discretizing high-symmetry paths in the moire Brillouin zone for band structure calculations, uniformly sampling a square grid for DoS analysis, and employing finite-difference methods to evaluate the Fermi velocity near the Dirac points. The results identify a narrow magic-angle window around $\theta \approx 0.98^\circ-1.00^\circ$, where the bands become nearly dispersionless, the DoS exhibits a sharp peak, and the Fermi velocity is strongly suppressed. This computational framework does not directly predict superconductivity, but rather establishes the electronic foundation for exploring flat-band physics and correlation-driven phenomena such as unconventional superconductivity in twisted bilayer graphene.


[51] 2601.12554

Artificial Intelligence in Materials Science and Engineering: Current Landscape, Key Challenges, and Future Trajectorie

Artificial Intelligence is rapidly transforming materials science and engineering, offering powerful tools to navigate complexity, accelerate discovery, and optimize material design in ways previously unattainable. Driven by the accelerating pace of algorithmic advancements and increasing data availability, AI is becoming an essential competency for materials researchers. This review provides a comprehensive and structured overview of the current landscape, synthesizing recent advancements and methodologies for materials scientists seeking to effectively leverage these data-driven techniques. We survey the spectrum of machine learning approaches, from traditional algorithms to advanced deep learning architectures, including CNNs, GNNs, and Transformers, alongside emerging generative AI and probabilistic models such as Gaussian Processes for uncertainty quantification. The review also examines the pivotal role of data in this field, emphasizing how effective representation and featurization strategies, spanning compositional, structural, image-based, and language-inspired approaches, combined with appropriate preprocessing, fundamentally underpin the performance of machine learning models in materials research. Persistent challenges related to data quality, quantity, and standardization, which critically impact model development and application in materials science and engineering, are also addressed.


[52] 2601.12570

INTERFACE Force Field for Alumina with Validated Bulk Phases and a pH-Resolved Surface Model Database for Electrolyte and Organic Interfaces

Alumina and aluminum oxyhydroxides underpin chemical-engineering technologies from heterogeneous catalysis, corrosion protection, functional coatings, energy-storage devices, to biomedical components. Yet molecular models that predictively connect phase structure, pH-dependent surface chemistry, electrolyte organization, and adsorption across operating conditions remain limited. Here we introduce a unified INTERFACE Force Field (IFF) parameterization together with a curated, ready-to-use pH-resolved surface model database that provides the most accurate and transferable atomistic description of major alumina phases to date. The framework covers a-Al2O3, g-Al2O3, boehmite, diaspore, and gibbsite using a single, physically interpretable parameter set that is directly compatible with CHARMM, AMBER, OPLS-AA, CVFF, and PCFF. Across structural, thermodynamic, mechanical, and interfacial benchmarks, simulations reproduce experimental reference data with more than 95 percent accuracy, exceeding existing force fields and the reliability of current density-functional approaches. A key advance is the first transferable treatment of surface ionization and charge regulation across alumina phases over a broad range of pH values, enabling simulations of realistic solid electrolyte interfaces without phase-specific reparameterization. Quantitative reliability is demonstrated by reproducing trends in zeta potentials and pH-dependent adsorption of a corrosion inhibitor at alumina-water interfaces. Predicted adsorption free energies and surface contact times correlate with experiments across more than an order of magnitude. Relative to ML-DFT workflows, the speed 100 to 1000 times faster, reaching system sizes and time scales inaccessible to quantum methods. The results establish a predictive computational platform to design alumina-containing functional materials under realistic process conditions.


[53] 2601.12581

Giant Damping-like Spin-Torque Conductivity in a GeTe/Py van der Waals Heterostructure

Recent observations of large unconventional spin-orbit torques in van der Waals (vdW) materials are driving intense interest for energy-efficient spintronic applications. A key limitation of ferromagnet (FM)/vdW heterostructures is their lower value of damping-like torque conductivity ($\sigma{\rm_{DL}^{y}}$) compared to the conventional heavy metal-based systems, limiting their prospects for commercial spintronic devices. Here, we report both a giant $\sigma{\rm_{DL}^{y}}$ of $-(1.25 \pm 0.11)\times 10^{5}~\hbar/ 2e~\Omega^{-1}$m$^{-1}$ and an unconventional spin-orbit torque in a heterostructure comprising an FM (Ni$_{80}$Fe$_{20}$) and the vdW material GeTe. The value of $\sigma{\rm_{DL}^{y}}$ represents the highest reported torque conductivity for any FM/vdW interface and is comparable to benchmark heavy metal heterostructures. First-principles calculations reveal that this substantial torque originates from the cooperative interplay of the spin Hall effect, orbital Hall effect, and orbital Rashba effect, assisted by interfacial charge transfer. These findings demonstrate the potential of carefully engineered vdW heterostructures to achieve highly efficient electrical manipulation of magnetization at room temperature, paving the way for next-generation low-power spintronic devices.


[54] 2601.12582

Ontology-aligned structuring and reuse of multimodal materials data and workflows towards automatic reproduction

Reproducibility of computational results remains a challenge in materials science, as simulation workflows and parameters are often reported only in unstructured text and tables. While literature data are valuable for validation and reuse, the lack of machine-readable workflow descriptions prevents large-scale curation and systematic comparison. Existing text-mining approaches are insufficient to extract complete computational workflows with their associated parameters. An ontology-driven, large language model (LLM)-assisted framework is introduced for the automated extraction and structuring of computational workflows from the literature. The approach focuses on density functional theory-based stacking fault energy (SFE) calculations in hexagonal close-packed magnesium and its binary alloys, and uses a multi-stage filtering strategy together with prompt-engineered LLM extraction applied to method sections and tables. Extracted information is unified into a canonical schema and aligned with established materials ontologies (CMSO, ASMO, and PLDO), enabling the construction of a knowledge graph using atomRDF. The resulting knowledge graph enables systematic comparison of reported SFE values and supports the structured reuse of computational protocols. While full computational reproducibility is still constrained by missing or implicit metadata, the framework provides a foundation for organizing and contextualizing published results in a semantically interoperable form, thereby improving transparency and reusability of computational materials data.


[55] 2601.12584

Multi-modal data-driven microstructure characterization

Electron backscatter diffraction is one of the most prevalent techniques used for microstructural characterization. In recent years, there has been an increase in the use of data-driven methods to analyze raw Kikuchi patterns. However, most of these require user input and the interpretation of the data-derived features is often challenging and subject to \textit{informed interpretation}. By using a combination of principal component analysis, constrained non-negative matrix factorization, and a variational autoencoder along with information-theoretical considerations on a multimodal dataset, it is shown that a) automated decision on method-specific hyperparameters, here the number of components in principal component analysis, the number of components for constrained non-negative matrix factorization, and the selection of reference constraints; and b) latent space features can be mapped to physically-meaningful quantities. In addition, the recommended region-of-interest (ROI) size for optimal model performance is approximated automatically to be twice the characteristic grain size based on information content of the dataset. Implemented in a workflow, this allows for a transferable, dataset-specific autonomous data-driven phase and grain segmentation including grain boundary detection and the analysis of very-small-angle intra-grain variations to complement conventional electron backscatter analysis.


[56] 2601.12588

Successful growth of low carrier density $α$-In$_2$Se$_3$ single crystals using Se-flux in a modified Bridgman furnace

Indium selenide (In$_2$Se$_3$) has garnered significant attention for its intriguing properties and applications in batteries, solar cells, photodetectors and ferroelectric devices. However, the controlled synthesis of single phase $\alpha$-In$_2$Se$_3$ remains challenging owing to its complex phase diagram, presence of multiple polymorphs and the high volatility of selenium that induces non-stoichiometry and unintentional carrier doping. For ferroelectric {\alpha}-In2Se3, minimizing the carrier density is essential because leakage current can obscure polarization switching. Here, we report the growth of $\alpha$-In$_2$Se$_3$ single crystals using a unique approach, the Se-flux assisted modified vertical Bridgman technique combined with liquid encapsulation under high pressure. This approach creates a high-pressure, Se-rich environment that effectively minimizes Se-vaporization. Structural and compositional analysis using X-ray diffraction, transmission electron microscopy and energy-dispersive X-ray spectroscopy confirm the formation of pure $\alpha$-In$_2$Se$_3$ single crystals with 3R stacking. Furthermore, the crystals exhibit remarkably low carrier density of 1.5-3.2 $\times$ 10$^{16}$ cm$^{-3}$ at 300K$-$the lowest reported to date, reflecting a significant suppression of Se-vacancies relative to the conventional Bridgman or melt-grown crystals. Through transport and ARPES measurements on different batches of crystals, we also demonstrate that the amount of Se-flux plays a crucial role in controlling Se-vacancies. Our results thus establish this modified Bridgman method as an effective strategy for synthesizing large $\alpha$-In$_2$Se$_3$ single crystals with reduced intrinsic defects. This technique can be broadly applied to grow other volatile chalcogenides with reduced defects and controlled stoichiometry.


[57] 2601.12615

Measurements of electronic band structure in CeCoGe$_3$ by angle-resolved photoemission spectroscopy

We report a comprehensive study of the electronic structure of CeCoGe$_3$ throughout the entire Brillouin zone in the non-magnetic regime using angle-resolved photoemission spectroscopy (ARPES). The electronic structure agrees in large part with first principles calculations, including predicted topological nodal lines. Two new features in the band structure are also observed: a surface state and folded bands, the latter which is argued to originate from a unit cell reconstruction.


[58] 2601.12623

Spatially-resolved coherence of organic molecular spins at room-temperature

Molecular spins are a versatile platform for quantum sensing. Not only are the spin-bearing molecules themselves widely tunable, they are also capable of being used as sensors as crystals, films and in solution. Using thin-films offers the advantages of high doping ratios and the ability to control the thickness with nanometre precision, however they also introduce disorder to the system. High proximity sensing can also be realised by using micro- and nano-crystals, however in many solid-state systems this leads to a reduction in coherence. In this paper we combine room-temperature optically detected coherent control of molecular spins and microscopy to image the coherence properties of both thin-films and micro-crystals of pentacene doped p-terphenyl. In thin-films we find large amounts of variation in both the contrast and coherence times, leading to a variability in the magnetic field sensitivity of approximately 7.6 %. Applying the technique to micro-crystals shows much lower sensitivity variability (1.3 %), and we find no evidence of coherence loss toward the edge of the crystal. Finally we perform optically-detected coherent control on a nano-crystal, showing minimal loss in coherence and contrast compared to the bulk crystal, with a coherence time of 1.09 {\mu}s and a contrast of 25 %.


[59] 2601.12649

3D atomistic imaging of polymer nanocomposites with Atom Probe Tomography: experimental methodology, preliminary results and future outlook

The use of polymer nanocomposites as gas barrier materials has seen increasing interest, including applications involving hydrogen transport and storage. Better understanding of gas transport through those polymeric systems requires 3D nanoscale detection of distributions and the possible trapping of gas molecules within nanoparticles and polymer/nanoparticle interfaces While atom probe tomography (APT) offers promising means for such nanoscale characterisation, its use for polymers has been mainly limited to thin organic layers deposited onto substrates or pre-fabricated metal needle shaped specimens. This work provides the very first application of APT to bulk polymer nanocomposites. Particularly, site specific atom probe sample preparation by Focused Ion Beam (FIB) liftout has been shown for the first time in a model system of hexagonal boron nanoparticles within a PVDF polymer matrix, using a variety of FIB workflows including Xe FIB, Ga FIB, cryogenic Ga FIB and deuterium charging. Mass spectra from the bulk polymer and the nanoparticle were collected using pulsed laser atom probe using standard conditions and compared. Several challenges encountered during this research including damage of the polymeric matrix during sample preparation were extensively discussed in this paper. Once those challenges have been resolved (e.g. by developing site specific sample preparation protocols), the application of APT to polymer nanocomposites can open new options for nanoscale characterisation of those systems.


[60] 2601.12656

Kineo-Elasticity and Nonreciprocal Phonons by Rashba-induced Interfacial Spin-Lattice Coupling

We identify a previously unrecognized spin-lattice coupling that is allowed in the presence of broken inversion symmetry that can be considered as a lattice analogue to the electronic Rashba spin-orbit coupling. In the low-frequency regime with magnons integrated out, the interfacial spin-lattice coupling is shown to engender a kineo-elastic term in the phonon Lagrangian that couples the strain on the lattice to its velocity and thereby gives rise to a nonreciprocity in transverse phonon velocity. We further analyze the full magnon-phonon spectrum and uncover directional hybridization and absorption, leading to asymmetric phonon propagation lengths for opposite directions. Our results indicate that such interfacial spin-lattice coupling can serve as an efficient route to achieve nonreciprocal phonon propagation properties in magnetic heterostructures with strong Rashba spin-orbit coupling.


[61] 2601.12676

Correlation between superfluid density and transition temperature in infinite-layer nickelate superconductor $Nd_{1-x}Sr_xNiO_2$

A strong correlation between zero-temperature superfluid density ($\rho_{s0}$) and transition temperature ($T_c$) is considered as a hallmark of unconventional superconductivity. However, their relationship has yet to be unveiled in nickelates due to sample inhomogeneity. Here we perform local susceptometry on an infinite-layer nickelate superconductor $Nd_{0.8}Sr_{0.2}NiO_2$. The sample shows inhomogeneous superfluid density and $T_c$ on micron-scale. The spatial statistics for different scan areas reveal a linear dependence of local $T_c$ on $\rho_{s0}$ for $T_c$>8 K and a sub-linear one for $T_c$<8 K. Remarkably, the overall relationship is reminiscent of that reported in overdoped cuprate superconductors, hinting at a close connection between them.


[62] 2601.12678

Self-Consistent Coulomb Interactions from Embedded Dynamical Mean-Field Theory

We develop a self-consistent first-principles framework for determining the screened Coulomb interaction strength (U) based on constrained dynamical mean-field theory (cDMFT). Unlike conventional approaches, this method incorporates essential vertex corrections within the same embedded-DMFT formalism used for the electronic structure calculation. Using the cDMFT-derived interaction strengths as input to embedded DMFT yields spectral functions in excellent agreement with photoemission experiments across a wide range of materials, spanning 3d to 5d transition-metal compounds, including correlated metals, Mott insulators, altermagnets, and unconventional superconductors. This unified many-body framework establishes a systematic first-principles route for determining interaction strengths in correlated materials and substantially enhances the predictive power of DFT+DMFT and its extensions.


[63] 2601.12721

Quantum theory of elastic strings and the thermal conductivity of glasses

We study the thermal conductivity of amorphous solids by constructing a continuum model whose degrees of freedom are propagating vibrational modes (phonons) and extended Volterra dislocation line defects with their own vibrational degrees of freedom which do not propagate in space. Our working assumption is that these additional degrees of freedom account for the "boson peak" that is observed in glassy materials. This identification allows us to obtain the length distribution of dislocations from experimental data of the boson peak for each material, which we use as input to calculate the phonon self-energy in a quantum field theory framework using that the phonon-dislocation interaction is given by the Peach-Koehler force. The tail of the distribution for long dislocations is consistent with an $L^{-5}$ power law. Our results show that this power law yields a linear rise in the thermal conductivity, as observed in glasses at low temperatures. We then consider two approaches to describe thermal conductivity data quantitatively. In the simplest approach we only keep the low-frequency behavior of the phonon self-energy with one free parameter, plus an adjustable UV cutoff. In the more realistic approach we keep the full frequency dependence of the phonon self-energy as dictated by the phonon-dislocation interaction plus an additional contribution due to scattering with point defects, with a cutoff set by the typical interatomic spacing of the material. We obtain a satisfactory description of thermal conductivity data with both approaches. We conclude by discussing prospects to test the predictive power of this model.


[64] 2601.12722

Lithium and sodium decorated PHE-graphene for high capacity hydrogen storage: A DFT and GCMC study

Porous nanocarbon materials are seen as potential excellent materials for hydrogen storage due to their high surface area, excellent cycling stability and favorable kinetics. This study employs Density Functional Theory (DFT) simulations to investigate key property of Li$^-$ and Na$^-$ modified PHE-graphene, including structural stability, electronic properties, and hydrogen storage capabilities. The results show that when each Li atom adsorbs six hydrogen molecules, the material reaches the maximum hydrogen adsorption gravimetric density of 15.20 wt%. Additionally, through Grand Canonical Monte Carlo (GCMC) simulations, we obtained the hydrogen weight ratios and adsorption enthalpy curves for Li- and Na-modified PHE under varying temperature and pressure conditions. These findings indicate that both Li- and Na-modified PHE-graphene are exceptional candidates for hydrogen storage materials, particularly in mobile applications.


[65] 2601.12726

Unusual antiferromagnetic order and fluctuations in RbMn$_{6}$Bi$_{5}$

Quasi-one-dimensional RbMn$_{6}$Bi$_{5}$, the first pressure-induced ternary Mn-based superconductor, exhibits a phase diagram analogous to those of cuprate and iron-based superconductors, with superconductivity neighboring antiferromagnetic order. Here, we use $^{55}$Mn and $^{87}$Rb nuclear magnetic resonance (NMR) to unravel its magnetic structure and fluctuations. Above the Néel temperature ($T_{\rm N}$), strong antiferromagnetic fluctuations dominate, characteristic of a paramagnetic state with pronounced spin-lattice relaxation rate enhancement. Below $T_{\rm N}$, a first-order phase transition establishes a commensurate antiferromagnetic order, where Mn atoms at the pentagon corners exhibit distinct magnetic moments with different orientations, while the central Mn atom carries no magnetic moment. The complex magnetic architecture, revealed by zero-field and high-magnetic-field NMR spectra, contrasts with earlier neutron diffraction models proposing uniform spin density waves, instead supporting localized moments ordering with charge rearrangement. The proximity of robust antiferromagnetic fluctuations to the high-pressure superconducting phase suggests a potential role for magnetic excitations in mediating unconventional Cooper pairing, akin to paradigmatic high-$T_c$ systems. These findings provide critical insights into the interplay between geometric frustration, magnetic order, and superconductivity in manganese-based materials.


[66] 2601.12755

Room temperature intrinsic anomalous Hall effect in disordered half-metallic ferromagnetic quaternary Heusler alloy CoRuFeSi

Quaternary Heusler alloys offer a versatile platform for engineering magnetic and topological transport phenomena through chemical flexibility and tunable disorder. Here, we report a comprehensive experimental and theoretical investigation of the magnetic, magnetotransport, and anomalous Hall properties of the quaternary Heusler alloy CoRuFeSi. The compound crystallizes in the LiMgPdSn-type structure with significant Co--Ru antisite disorder and exhibits soft ferromagnetism with a saturation magnetization of $4.21~\mu_{\mathrm{B}}/\mathrm{f.u.}$ at low temperature and a Curie temperature well above room temperature. Hall measurements reveal a robust anomalous Hall effect persisting up to 300~K, with an anomalous Hall conductivity of $\sim 74$~S/cm that is nearly temperature independent. Scaling analysis demonstrates that the anomalous Hall response is dominated by the intrinsic Berry-curvature mechanism. First-principles calculations identify CoRuFeSi as a topologically nontrivial nodal-line semimetal in its ordered phase. Incorporation of experimentally relevant Co--Ru antisite disorder redistributes the Berry curvature and quantitatively reproduces the experimentally observed anomalous Hall conductivity, while preserving half-metallicity. These results establish CoRuFeSi as a disorder-tolerant half-metallic ferromagnet with a sizable intrinsic anomalous Hall effect at room temperature, highlighting its potential for spintronic and Hall-based device applications.


[67] 2601.12763

Inverse Chiral Phonon Zeeman Effect in Noncentrosymmetric Crystals

We present a microscopic theory of the inverse chiral phonon Zeeman effect in noncentrosymmetric crystals. Within micropolar elasticity, coupled translational displacements and microrotations give rise to intrinsically chiral phonons, which generate an elliptically polarized internal magnetic field through dynamical piezoelectricity. In the high-frequency Floquet regime and under incomplete electronic screening, this field acts as an effective longitudinal Zeeman field on electronic spins, leading to spin polarization and band splitting. The results establish a purely lattice-driven mechanism for the inverse chiral phonon Zeeman effect in noncentrosymmetric crystals.


[68] 2601.12777

Quantum droplets in a resonant Bose-Fermi mixture

We study the canonical problem of a Fermi gas interacting with a weakly repulsive Bose-Einstein condensate at zero temperature. To explore the quantum phases across the full range of boson-fermion interactions, we construct a versatile variational ansatz that incorporates pair correlations and correctly captures the different polaron limits. Remarkably, we find that self-bound quantum droplets can exist in the strongly interacting regime, preempting the formation of boson-fermion dimers, when the Fermi pressure is balanced by the resonant boson-fermion attraction. This scenario can be achieved in experimentally available Bose-Fermi mixtures for a range of boson-fermion mass ratios in the vicinity of equal masses. We furthermore show that a larger fermion density instead yields phase separation between a Bose-Fermi mixture and excess fermions, as well as behavior reminiscent of a liquid-gas critical point. Our results suggest that first-order quantum phase transitions play a crucial role in the phase diagram of Bose-Fermi mixtures.


[69] 2601.12797

Klein tunneling in quantum geometric semimetals

Klein tunneling stands as a fundamental probe of relativistic quantum transport in two-dimensional materials. We investigate this phenomenon in quadratic band-touching systems, where the Hilbert-Schmidt quantum distance plays a central role in the underlying mechanism. By employing a generic parabolic model, we systematically disentangle the cooperative effects of intrinsic mass asymmetry and tunable quantum geometry. We demonstrate that mass asymmetry sets the overall transmission profile, including the angular distribution and the resonance channels. In contrast, we show that quantum geometry provides a universal parameter that modulates tunneling efficiency by tuning the quantum distance, while leaving the energy dispersion unchanged. Specifically, quantum geometry plays a dual role: it governs the overall transmission amplitude through pseudospin mismatch, while its interplay with Fabry-Perot interference induces observable shifts in resonance angles. Our findings reveal that incorporating quantum geometry alongside band structure is essential for a complete description of quantum transport.


[70] 2601.12800

Experimental study of magnetically insensitive transitions in ultracold Fermi gas of $^{40}$K

This paper presents an experimental study of microwave single-photon transitions that are magnetic-field-insensitive in degenerate Fermi gases of $^{40}$K. This contrasts with microwave single-photon clock transitions for 0-0 magnetic-field-insensitive states and two-photon clock transitions for non 0-0 magnetic-field-insensitive states in bosonic alkali metal atoms. We show that there are two sets of special transitions between two different hyperfine ground states ($|F$=9/2, $m_{F}$=1/2$\rangle$ $\Leftrightarrow$ $|$7/2, -1/2$\rangle$ and $|$9/2, -1/2$\rangle$ $\Leftrightarrow$ $|$7/2, 1/2$\rangle$), whose microwave single-photon transition frequency is insensitive to low magnetic fields, as the first-order Zeeman shift is almost completely canceled. By using the microwave spectrum and Ramsey interference fringes, we demonstrate the long-time stability of the coherent transition under magnetic field fluctuations. These magnetic-field-insensitive microwave hyperfine transitions in ultracold $^{40}$K Fermi gases offer promising applications in quantum information and precision measurements.


[71] 2601.12833

Quantum State Preparation of Ferromagnetic Magnons by Parametric Driving

We propose a method to prepare and certify Gaussian quantum states of the ferromagnetic resonance spin-wave modes in ferromagnets using a longitudinal drive. Contrary to quantum optics-based strategies, our approach harnesses a purely magnonic feature - the spin-wave nonlinearity - to generate magnon squeezing. This resource is used to prepare vacuum-squeezed states, as well as entangled states between modes of different magnets coupled via a microwave cavity. We propose methods to detect such states with classical methods, such as ferromagnetic resonance or local pickup coils, and quantify the required detection efficiency. We analytically solve the case of ellipsoidal yttrium iron garnet ferrimagnets, but our method applies to a vast range of shapes and sizes. Our work enables quantum magnonics experiments without single-magnon sources or detectors (qubits), thus bringing the quantum regime within reach of the wider magnonics community.


[72] 2601.12838

WH Statistics: Generalized Pauli Principle for Partially Distinguishable Particles

Traditional statistical mechanics is constrained by the binary paradigms of identical/distinguishable and bosonic/fermionic particle statistics, leading to a fundamental logical gap in describing systems with partial distinguishability. We propose WH Statistics, a unified theoretical framework governed by three key parameters: continuous distinguishability {\lambda}, exclusion weight \k{appa}, and intrinsic exclusivity {\gamma}. By deriving the microstate count and entropy, we show that this framework naturally recovers the Bose-Einstein, Fermi-Dirac, and Maxwell-Boltzmann statistics, while also incorporating anyons and the classical hard-core (Langmuir) limit. We introduce a class of generalized quasiparticles, termed WHons, which exhibit exotic physical phenomena including non-monotonic degeneracy pressure peaks, Schottky-like specific heat anomalies, and tunable interference effects, driven by the interplay between fractional distinguishability and exclusion. This framework bridges the century-old discontinuity between quantum and classical exclusion principles, providing a powerful tool for investigating strongly correlated systems and programmable quantum matter.


[73] 2601.12841

Engineering of Orbital Hybridization: An Exotic Strategy to Manipulate Orbital Current

Current-induced spin-orbit torque (SOT) plays a crucial role in the next-generation spin-orbitronics. Enhancing its efficiency is both fundamentally and practically interesting and remains a challenge to date. Recently, orbital counterparts of spin effects that do not rely on the spin-orbit coupling (SOC) have been found as an alternative mechanism to realize it. This work highlights the engineering of copper oxidation states for manipulating the orbital current and its torque in the CuO$_x$-based heterostructures. The orbital hybridization and thus the orbital-Rashba-Edelstein effect at the CuO$_x$/Cu interfaces are significantly enhanced by increasing the copper oxidation state, yielding a torque efficiency that is almost ten times larger than the conventional heavy metals. The Cu$_4$O$_3$/Cu interface, rather than the widely accepted CuO/Cu interface, is revealed to account for the enhanced SOT performance in the CuO$_x$-based heterostructures. In addition, the torque efficiency can be alternatively switched between high and low thresholds through the redox reaction. The current results establish an exotic and robust strategy for engineering the orbital current and SOT for spin-orbitronics, which applies to other weak-SOC materials.


[74] 2601.12848

Anisotropic Collective Excitations of Bose Gases in Modified Newtonian Dynamics

Collective excitations are fundamental in quantum many-body physics, yet their spectra have traditionally been studied within Newtonian dynamics. In this Letter, we investigate collective excitations in Bose gases under Modified Newtonian Dynamics (MOND). We derive an anisotropic excitation spectrum in the MOND regime. This anisotropy arises directly from the intrinsic nonlinear structure of the MOND Poisson equation, forming a distinctive signature of the modified gravitational response. We then analyze the Jeans instability, obtaining analytic expressions for the direction-dependent critical wavelength and mass. These results advance our understanding of collective behavior in quantum systems under modified dynamics and establish clear theoretical signatures for testing MOND-like effects in quantum simulators.


[75] 2601.12852

Plasmonic nanocavity-enabled universal detection of layer-breathing vibrations in two-dimensional materials

Conventional Raman spectroscopy faces inherent limitations in detecting interlayer layer breathing (LB) vibrations with inherently weak electron-phonon coupling or Raman inactivity in two-dimensional materials, hindering insights into interfacial coupling and stacking dynamics. Here we demonstrate a universal plasmon-enhanced Raman spectroscopy strategy using gold or silver nanocavities to strongly enhance and detect LB modes in multilayer graphene, hBN, and their van der Waals heterostructures. Plasmonic nanocavities even modify the linear and circular polarization selection rules of the LB vibrations. By developing an electric-field-modulated interlayer bond polarizability model, we quantitatively explain the observed intensity profiles and reveal the synergistic roles of localized plasmonic field enhancement and interfacial polarizability modulation. This model successfully describes the behavior across different material systems and nanocavity geometries. This work not only overcomes traditional detection barriers but also provides a quantitative framework for probing interlayer interactions, offering a versatile platform for investigating hidden interfacial phonons and advancing the characterization of layered quantum materials.


[76] 2601.12854

A generalized work theorem for stopped stochastic chemical reaction networks

We establish a generalized work theorem for stochastic chemical reaction networks (CRNs). By using a compensated Poisson jump process, we identify a martingale structure in a generalized entropy defined relative to an auxiliary backward process and extend nonequilibrium work relations to processes stopped at bounded arbitrary times. Our results apply to discrete, mesoscopic chemical reaction networks and remain valid for singular initial conditions and state-dependent termination events. We show how martingale properties emerge directly from the structure of reaction propensities without assuming detailed balance. Stochastic simulations of a simple chemical kinetic proofreading network are used to explore the dependence of the exponentiated entropy production on initial conditions and model parameters, validating our new work theorem relationships. Our results provide new quantitative tools for analyzing biological circuits ranging from metabolic to gene regulation pathways.


[77] 2601.12891

Using Andreev bound states and spin to remove domain walls in a Kitaev chain

Quantum dot-superconductor hybrids have been established as a suitable platform for realizing Kitaev chains hosting Majorana bound states. Implementing these structures in a qubit architecture is expected to result in coherence times that scale exponentially with the lengths of the chains. To scale to longer systems, the phase differences between all superconducting segments in the chain need to be controlled. While this control has been demonstrated by using an external magnetic flux, ideally it can be achieved with control over intrinsic system parameters. In this work, we investigate whether the relevant phase differences can be tuned through the spin degree of freedom in each QD, or the chemical potential of the discrete bound states in the hybrid sections. We confirm that both these tuning knobs allow for controlling the phase difference in the couplings between neighbouring QDs, bypassing the requirement to tune an external flux. However, we find that the amplitude of the phase shifts can deviate from a discrete $\pi$-shift. We introduce a spatial variation in the spin-orbit field as a possible mechanism to explain the observed behaviour and comment on the consequences for experimentally creating long Kitaev chains.


[78] 2601.12892

Discovery of Ferroelectric Twin Boundaries in a Photoactive Halide Perovskite

Halide perovskites have emerged as promising materials for next-generation photovoltaics, laser sources and X-ray detectors. There is intense debate as to whether some photoactive halide perovskites exhibit ferroelectric behaviour and whether it might be possible to utilise the bulk photovoltaic effect to enhance the performance of halide perovskite solar cells. Here, using low-dose scanning transmission electron microscopy, we discover the existence of ferroelastic twin boundaries in vapor-deposited CsPbI3 thin films, parallel to {110} and {112}. Remarkably, despite photoactive CsPbI3 being centrosymmetric and non-polar, we observe directly that Pb atoms shift at {110} twin boundaries driving a local ferroelectric-like polarisation. These polar twin walls form an intrinsic array of nanoscale functional interfaces, spaced ~30-50 nm apart, embedded within the non-polar perovskite lattice. In contrast, {112} twin boundaries remain non-polar but strongly suppress octahedral tilt and off-centre Cs atom displacements, revealing a different untapped ferroic degree of freedom. These discoveries together uncover previously hidden ferroic functionality in halide perovskite semiconductors, opening opportunities for enhanced conductivity and photovoltaic behaviour through domain wall engineering.


[79] 2601.12898

Emergent gauge flux and spin ordering in magnetized triangular spin liquids: applications to Hofstadter-Hubbard model

Motivated by the recent progress in the moiré superlattice systems and spin-1/2 triangular lattice antiferromagnets, we revisit the triangular-lattice spin liquids and study their magnetic responses. While the magnetic responses on the ordered phases can be mundane, the orbital magnetic flux and the Zeeman coupling have synergetic effects on the internal gauge flux generations in the relevant spin liquid phases. The former was known to induce an internal U(1) gauge flux indirectly through the charge fluctuations and ring exchange, and thus could lead to the formation of a chiral spin liquid. The latter could spontaneously generate a uniform field-dependent internal gauge flux, driving a conically-ordered state. The competition and interplay between these two field effects are discussed through a generic spin-1/2 $J_1$-$J_2$-$J_{\chi}$ model and with the experimental consequences. Our results could find applications in the moiré superlattice systems with the Hofstadter-Hubbard model as well as the triangular lattice antiferromagnets.


[80] 2601.12905

Finite-momentum bound pairs of two electrons in an altermagnetic metal

We solve the two-electron problem on a square lattice with $d$-wave altermagnetism, considering both on-site and nearest-neighbor attractive interactions. The altermagnetic spin-splitting in the single-particle dispersion naturally gives rise to a ground state of two-electron bound pairs with nonzero center-of-mass momentum. This finite-momentum pairing can be interpreted as a two-body mechanism underlying the recently proposed altermagnetism-induced Fulde--Ferrell--Larkin--Ovchinnikov (FFLO) superconducting state. Additionally, when the nearest-neighbor attraction is strong, the resulting finite-momentum bound pairs exhibit a mixture of both spin-singlet and spin-triplet characteristics, suggesting the possibility of unconventional superconductors, where spin-singlet and spin-triplet pairings coexist.


[81] 2601.12914

Effect of uniaxial compressive stress on polarization switching and domain wall formation in tetragonal phase BaTiO3 via machine learning potential

Ferroelectric materials such as BaTiO3 exhibit spontaneous polarization that can be reoriented by an external electric field, forming the basis of various memory, actuator, and sensor applications. The polarization switching behavior, however, is strongly influenced by mechanical boundary conditions due to the intrinsic electromechanical coupling in ferroelectrics. In this study, we employ a machine learning interatomic potential to investigate the effect of uniaxial compressive stress on polarization switching and domain wall evolution in the tetragonal phase of BaTiO3. This study revealed a critical stress about 120 MPa which 90 degree polarization switching occurs. Beyond the critical stress, larger supercells exhibit lower activation energies for polarization switching with 180-degree domain wall formation and weaker constraints from periodic boundary conditions, thereby facilitating domain-wall formation. Besides, Increasing compressive stress reduces both the remnant polarization and the coercive field, while a double hysteresis loop emerges at a stress level of 80 MPa. These findings provide atomistic insights into stress-controlled ferroelectric switching and highlight the crucial role of mechanical loading in designing reliable ferroelectric devices.


[82] 2601.12935

Direct measurement of the Orderphobic Effect

Fluctuation-induced forces, such as the Critical Casimir Effect (CCE), are fundamental mechanisms driving organization and self-assembly near second-order phase transitions. The existence of a comparable, universal force for systems undergoing a first-order transition has remained an unresolved fundamental question. The proposed Orderphobic Effect is one such potential mechanism. It arises from minimisation of the interfacial free energy between solutes that locally nucleate a disordered phase. Here, we report the first experimental demonstration and quantitative measurement of the Orderphobic Effect. Using a driven, non-equilibrium quasi-2D granular fluid undergoing a first-order order-disorder transition, we show that specifically designed solutes in an ordered phase nucleate a coexisting ``bubble'' of the disordered phase. By analysing its capillary fluctuations, we confirm that this phenomenon occurs due to the proximity to phase-coexistence, and we directly quantify the attractive force by measuring the interaction free energy between solutes. The observation of this general fluctuation-mediated force in a non-equilibrium steady state strongly supports its claimed universality. Our work establishes the Orderphobic Effect as the first-order equivalent to the CCE, providing a new, general route for controlling self-assembly and aggregation in soft matter and non-equilibrium systems.


[83] 2601.12942

Multiscale Prediction of Polymer Relaxation Dynamics via Computational and Data-Driven Methods

We present a multiscale modeling approach that integrates molecular dynamics simulations, machine learning, and the Elastically Collective Nonlinear Langevin Equation (ECNLE) theory to investigate the glass transition dynamics of polymer systems. The glass transition temperatures (Tg) of four representative polymers are estimated using simulations and machine learning model trained on experimental datasets. These predicted Tg values are used as inputs to the ECNLE theory to compute the temperature dependence of structural relaxation times and diffusion coefficients, and the dynamic fragility. The Tg values predicted from simulations show good quantitative agreement with experimental data. While machine learning tends to slightly overestimate Tg, the resulting dynamic fragility values remain close to experimental fragilities. Overall, ECNLE calculations using these inputs agree well with broadband dielectric spectroscopy results. Our integrated approach provides a practical and scalable tool for predicting the dynamic behavior of polymers, particularly in systems where experimental data are limited.


[84] 2601.12947

Water Phase Diagram from a General-Purpose Atomic Cluster Expansion Potential

Water's phase diagram remains one of the most intricate and challenging benchmarks in molecular modeling. In this study, we compute the phase diagram of water using an Atomic Cluster Expansion (ACE) potential trained on density-functional theory (DFT) calculations based on the revPBE-D3 exchange and correlation functional. We compute solid-liquid chemical potential differences and melting points using biased coexistence simulations with the On-the-Fly Probability Enhanced Sampling (OPES) method. Starting from these points, we trace coexistence lines using Gibbs-Duhem integration. This combination of methods allows us to consistently map pressure-temperature phase boundaries and reconstruct the full phase diagram between approximately 100-500 K and 0-4 GPa. The stability regions of the main ice polymorphs (Ih, II, V, VI, and VII) are reproduced in close agreement with experiments. As in earlier studies based on DFT, ice III is metastable and there are systematic shifts of coexistence lines with respect to experimental results. Our results demonstrate the capability of our general-purpose ACE potential to capture the complex phase behavior of water across wide thermodynamic conditions.


[85] 2601.12953

Giant Shubnikov-de Haas Oscillations with V-Shaped Minima in a High-Mobility Two-Dimensional Electron Gas: Experiment and Phenomenological Model

Giant Shubnikov-de Haas oscillations (SdHO) with V-shaped minima are experimentally studied in a high-mobility two-dimensional electron gas based on GaAs/AlGaAs heterostructures. A phenomenological model with two parameters (transport momentum relaxation time $\tau_{\text{tr}}$ and quantum scattering time $\tau_q$) is developed, accurately describing experimentally measured magnetoresistance over an unexpectedly wide range of magnetic fields (up to 3.5 T) and temperatures (from 2 K to 15 K). The model combines: (i) a quasiclassical density of states with a magnetic-field-dependent Gaussian broadening of Landau levels, (ii) a momentum relaxation time scaling with the density of states, and (iii) oscillations of the Fermi level at a fixed electron density. This model reproduces V-shaped oscillation minima with zero-resistance points, a smooth background of positive magnetoresistance, and enables the extraction of $\tau_q$ and $\tau_{\text{tr}}$ even in microstructures where ballistic and viscous effects dominate at low fields. As expected, the temperature dependence reveals that $\tau_{\text{tr}}$ scales inversely with temperature due to acoustic phonon scattering, while $\tau_q$ remains temperature-independent.


[86] 2601.12955

Classification of instabilities for the nonideal Brusselator model

We investigate a nonideal, thermodynamically consistent Brusselator reaction-diffusion (RD) system that explicitly incorporates molecular interactions among species in both the diffusion process and the underlying chemical reaction network. Within this framework, we systematically revisit the Cross-Hohenberg classification of instabilities to assess the feasibility and characteristics of the various types of instability arising from the interplay between entropic and energetic contributions. Our analysis demonstrates that only type I and type III instabilities (the Cross-Hohenberg classification) can occur in this system; Energetic contributions do not explicitly generate instabilities, but may implicitly control their occurrence through their influence on the fixed-point (steady-state) concentrations. In cases where instabilities of different types coexist, we show that the resulting patterns are highly sensitive to the relative strengths of the competing instabilities.


[87] 2601.12969

Correlation lengths of flat-band superconductivity from quantum geometry

Flat-band superconductors provide a regime in which kinetic energy is quenched, so that pairing is governed primarily by interactions and quantum geometry. We investigate characteristic superconducting length scales in all-flat-band systems under the assumptions of time-reversal symmetry and spatially-uniform pairing, focusing on the size of the lowest-lying two-body bound state, the average Cooper-pair size, and the zero-temperature coherence length in two-band Hubbard models. Using the Creutz ladder and the $\chi$ lattice as representative examples, we show that both the two-body bound-state size and the many-body Cooper-pair size remain finite and small in the weak-coupling limit, being controlled by the quantum metric of the flat bands. By contrast, the coherence length exhibits qualitatively distinct behavior, diverging in the dilute limit and in the vicinity of insulating regimes. These results demonstrate that, in flat-band superconductors, the pair size and the coherence length are fundamentally distinct physical quantities and highlight the central role of band geometry in shaping superconducting length scales when kinetic energy is quenched.


[88] 2601.12984

Machine learning interatomic potentials for solid-state precipitation

Machine learning interatomic potentials (MLIPs) are routinely used to model diverse atomistic phenomena, yet parameterizing them to accurately capture solid-state phase transformations remains difficult. We present error metrics and data-generation schemes designed to streamline the parameterization of MLIPs for modeling precipitation in multi-component alloys. We developed an algorithm that enumerates symmetrically distinct transformation pathways connecting chemical decorations on different parent crystal structures. Additionally, we introduce the weighted Kendall-$\tau$ coefficient and its semi-grand canonical generalization as metrics for quantifying MLIP accuracy in predicting low-temperature thermodynamics. We apply these approaches to parameterize an MLIP for a dilute Mg-Nd alloy. The resulting potential reproduces the complex early-stage precipitation behavior observed in experiment. Large-scale atomistic simulations reveal competition between order-disorder and structural transformations. Furthermore, these results suggest a continuous transition between high-symmetry hcp and bcc crystal structures during aging heat treatments.


[89] 2601.13002

Theory of Correlated Hofstadter Spectrum in Magic-Angle Graphene

The magnetic-field-induced correlated Chern insulator (CCI) states in magic-angle twisted bilayer graphene (MATBG) have been intensively studied in experiments, but a simple and clear understanding of their origin is still lacking. Here, we propose a unified theoretical framework for the CCI states in MATBG that successfully explains most experimental observations. The key insight of our theory is that, due to the very narrow bandwidth of MATBG, correlation-enhanced valley and spin Zeeman terms are critical for shaping the intricate Hofstadter spectrum, resulting in an interwoven, flavor-resolved (spin and valley) Hofstadter spectrum that can well describe the observed CCI states. Crucially, due to the Zeeman effect, the crossings between these flavor-polarized Hofstadter spectra are magnetic-field-dependent, causing certain CCI states to emerge only above a critical field. This is the main mechanism underlying the critical field phenomenon of the CCI states observed in experiments. Our theory provides a clear and unified physical picture for the correlated Hofstadter spectrum in MATBG.


[90] 2601.13009

Visual Luminescence Thermometry Enabled by Phase-Transition-Activated Cross Relaxation of Tb3+ Ions

The development of visual luminescent thermometers capable of exhibiting pronounced color changes in response to temperature variations requires the rational design of phosphors with high spectrally selective thermal sensitivity. In this work, we present a strategy based on phase-transition-induced activation of cross-relaxation processes in LiYO2:Tb3+. The monoclinic-to-tetragonal structural phase transition modifies the point symmetry of Tb3+ ions in the host lattice, enhances the Stark effect, and enables energetic resonance required for efficient cross relaxation. Consequently, emission originating from the 5D3 excited state is rapidly quenched relative to that from the 5D4 level above approximately 300 K, resulting in a distinct temperature-dependent color change of the emitted light from blue to green. This mechanism yields exceptionally high chromaticity-coordinate-based sensitivities, reaching SRx,max = 0.40% K-1 and SRy,max=0.72% K-1 at 410 K. Furthermore, phase-transition-driven modifications of the Tb3+ emission spectral profile enable the realization of a multimode luminescent thermometer with a maximum relative sensitivity of SRmax=13% K-1. The practical applicability of this system is demonstrated through an ON-OFF luminescent thermal switch and fully filter-free, dynamic two-dimensional thermal imaging using the blue and green channels of a standard digital camera, enabling intuitive visualization, remote readout, and temperature mapping under dynamic conditions.


[91] 2601.13011

Topological Charges, Fermi Arcs, and Surface States of $K_4$ Crystal

We investigate the topological electronic properties of the $K_4$ crystal by constructing a tight-binding model. The bulk band structure hosts Weyl nodes with higher and conventional chiralities ($\chi = \pm 2$ and $\chi = \pm 1$) located at high-symmetry points in the Brillouin zone. Through analytical evaluation of the Berry curvature, we identify the positions and chiralities of these Weyl nodes. Furthermore, slab calculations for the (001) surface reveal Fermi arcs that connect Weyl nodes of opposite chirality, including those linking $\chi = \pm 2$ nodes with pairs of $\chi = \mp 1$ nodes. These results demonstrate that the $K_4$ crystal is a spinless Weyl semimetal featuring topologically protected surface states originating from multiple types of Weyl nodes.


[92] 2601.13032

Phase Transitions in Low-Dimensional Layered Double Perovskites: The Role of the Organic Moieties

Halide double perovskites are an interesting alternative to Pb-containing counterparts as active materials in optoelectronic devices. Low-dimensional double perovskites are fabricated by introducing large organic cations, resulting in organic/inorganic architectures with one or more inorganic octahedral layers separated by organic cations. Here, we synthesize layered double perovskites based on 3D Cs2AgBiBr6 that consist of double (2L) or single (1L) inorganic octahedral layers, using ammonium cations of different size and chemical structure. Temperature-dependent Raman spectroscopy reveals phase transition signatures in both inorganic lattice and organic moieties by detecting variations in their vibrational modes. Changes in the conformational arrangement of the organic cations to an ordered state coincide with a phase transition in the 1L systems with the shortest ammonium moieties. Significant changes of photoluminescence intensity observed around the transition temperature suggest that optical properties may be deeply affected by the octahedral tilts emerging at the phase transition.


[93] 2601.13046

Griffiths-like region explains the dynamic anomaly in metallic glass-forming liquids

Complex fluids such as water exhibits many anomalous phenomena, and research suggests these properties are closely tied to critical fluctuations near the liquid-liquid phase transition critical point (LLCP). However, whether a similar LLCP exists in metallic glass-forming liquids, which are notable for their high atomic coordination, remains an open question. Although dynamic anomalies such as the breakdown of the Stokes-Einstein (SE) relation have often been attributed to dynamic heterogeneity or structural changes, relatively few studies have analyzed these anomalies from a thermodynamic-fluctuation perspective. This gap probably stems from the challenges in detecting density-driven phase transitions in such systems. Here, we use numerical simulations to explore the thermodynamic mechanisms behind dynamic anomalies in a prototypical metallic glass-forming melt. We observe substantial thermodynamic fluctuations near a particular region, which likely corresponds to a frustration state of liquid, vapor, and glass. These fluctuations may contribute to the violation of the SE relation. Our findings offer a fresh Griffiths-like perspective on the dynamic anomalies seen in supercooled metallic liquids, and shed new light on their underlying mechanisms.


[94] 2601.13063

Coexistence of stripe order and superconductivity in NaAlSi

Here, we report a scanning tunneling microscopy study on an s-wave superconductor NaAlSi, revealing the coexistence of stripe order and superconductivity. This stripe order manifests as a unidirectional spatial charge modulation with a commensurate period of four times the lattice constant. This modulation undergoes a phase shift in the differential conductance maps under opposite bias voltages, while its period remains approximately constant over an energy range of $\pm$50 meV. These features suggest that this stripe is likely a static charge order. Furthermore, we find that the stripe order imposes a periodic modulation on the intensity of the superconducting coherence peaks. This work provides new perspectives on the intricate interplay between stripe order and s-wave superconductivity.


[95] 2601.13074

Synthesizing Strong-Coupling Kohn-Luttinger Superconductivity in 2D Van der Waals materials

The Kohn-Luttinger (KL) mechanism of pairing, which describes superconductivity emergent from repulsive interactions, typically yields Cooper pairs at high angular-momentum ($\ell > 0$) and extremely low transition temperatures ($T_c$). Here, we reveal an inter-layer s-wave ($\ell=0$) KL superconductivity with greatly elevated $T_c$ in a multi-layer Hubbard model, which prototypes stacked two-dimensional (2D) electrons in layered van der Waals materials. By employing determinant quantum Monte Carlo and dynamical mean-field theory simulations, we show that a strong pairing attraction $V^{*}$, without the mediation of collective modes, can emerge between inter-layer electrons in the system. As inter-layer repulsion $U$ increases, $V^{*}$ evolves from a conventional KL relation of $V^{*} \propto -U^2$, to a linear strong-coupling scaling of $V^{*} \propto -U$, resulting in enhanced superconductivity at large $U$. This strong-coupling KL pairing is robust against changes in lattice geometries and dimensionalities, and it can persist, in the presence of a large remnant Coulomb repulsion $U^{*}$ between pairing electrons. Using \textit{ab initio} calculations, we propose a few 2D layered van der Waals materials that can potentially realize and control this unconventional superconductivity.


[96] 2601.13078

SCF framework, HF stability and RPA correlation for Jordan-Wigner-transformed spin Hamiltonians on arbitrary coupling topologies

Mapping spins to fermions via the Jordan-Wigner (JW) transformation can render mean-field (Hartree-Fock, HF) descriptions effective for strongly correlated spin systems. As established in recent work, the application of such approaches is not limited by the nonlocal structure of JW strings or by site ordering, because string operators can be absorbed into Thouless rotations of a Slater determinant, and the variational optimization of a unitary Lie-Algebraic similarity transformation removes any ordering dependence. Leveraging these ideas, we develop a self-consistent field (SCF) scheme that expresses the mean-field energy as a functional of the single-particle density matrix, providing an alternative to gradient-based optimization of Thouless parameters. We derive the analytic orbital Hessian to diagnose HF stability and compute ground-state correlation energy through the random-phase approximation (RPA). Benchmark results for the XXZ and J1-J2 model on one- and two-dimensional lattices demonstrate that RPA significantly improves mean-field accuracy.


[97] 2601.13079

Polychronous Wave Computing: Timing-Native Address Selection in Spiking Networks

Spike timing offers a combinatorial address space, suggesting that timing-based spiking inference can be executed as lookup and routing rather than as dense multiply--accumulate. Yet most neuromorphic and photonic systems still digitize events into timestamps, bins, or rates and then perform selection in clocked logic. We introduce Polychronous Wave Computing (PWC), a timing-native address-selection primitive that maps relative spike latencies directly to a discrete output route in the wave domain. Spike times are phase-encoded in a rotating frame and processed by a programmable multiport interferometer that evaluates K template correlations in parallel; a driven--dissipative winner-take-all stage then performs a physical argmax, emitting a one-hot output port. We derive the operating envelope imposed by phase wrapping and mutual coherence, and collapse timing jitter, static phase mismatch, and dephasing into a single effective phase-noise budget whose induced winner--runner-up margin predicts boundary-first failures and provides an intensity-only calibration target. Simulations show that nonlinear competition improves routing fidelity compared with noisy linear intensity readout, and that hardware-in-the-loop phase tuning rescues a temporal-order gate from 55.9% to 97.2% accuracy under strong static mismatch. PWC provides a fast routing coprocessor for LUT-style spiking networks and sparse top-1 gates (e.g., mixture-of-experts routing) across polaritonic, photonic, and oscillator platforms.


[98] 2601.13084

Weakly anisotropic superconductivity of Pr4Ni3O10 single crystals

Since the discovery of high-temperature superconductivity, studying the upper critical field and its anisotropy has been crucial for understanding superconducting mechanism and guiding applications. Here we perform in situ high-pressure angular-dependent electrical transport measurements on Pr4Ni3O10 single crystals using a custom diamond anvil cell (DAC) rotator and confirming its anisotropic superconductivity. The anisotropy parameter is approximately 1.6, decreasing with increasing temperature and approaches 1 near Tc. Comparing effective mass anisotropy and inter-block distance in cuprates and iron-based superconductors (FeSCs) reveals that Pr4Ni3O10 single crystals superconductors are consistent with a two-band model, where intralayer quantum confinement within the unit cell induces interlayer coherence, thereby leading to three-dimensional (3D) superconductivity. This study not only establishes the existence of anisotropic superconductivity in bulk Ruddlesden-Popper nickelates, but also provide critical insight into the role of dimensionality in high-temperature superconductivity.


[99] 2601.13090

Spin-density-wave transition in monolayer-trilayer La3Ni2O7 single crystals

The recent discovery of high-temperature superconductivity in pressurized Ruddlesden-Popper nickelates stimulated intense research into their correlated electron physics. Establishing the diversity of ground states across different Ruddlesden-Popper phases is crucial for elucidating the superconducting mechanisms in these nickelates. Motivated by the recent report of superconductivity in hybrid 1212-type La5Ni3O11, we synthesized and investigated the long-range-ordered hybrid 1313-type La3Ni2O7. In contrast to its bilayer counterpart, the 1313-type La3Ni2O7 exhibits characteristic semiconducting behavior at ambient pressure, displaying a distinct anomaly at 170 K. This behavior is consistently evidenced by measurements of both magnetic susceptibility and specific heat. Nuclear magnetic resonance spectroscopy unambiguously indicates a spin-density-wave transition occurring at 170 K. High-pressure electrical transport measurements demonstrate the induction of metallization under pressure, yet reveal no discernible traces of superconductivity up to 65 GPa. Our findings establish hybrid 1313-type La3Ni2O7 as a new member of the Ruddlesden-Popper nickelate family exhibiting a distinct spin-density-wave transition, and offers a new platform for investigating the interplay among crystal structure, electronic orders, and superconductivity in hybrid nickelates.


[100] 2601.13091

Photoelectron Spectroscopy Study of U-Te Thin Films: A Unified Perspective of Hybridization Effects across Compositions

Uranium tellurides span magnetic and superconducting ground states, yet systematic electronic-structure information across the U-Te series remains scarce. In this study, we perform photoemission measurements on freshly prepared UxTey thin films covering the range of bulk stoichiometries under ultra-high vacuum (10^-9 Pa), enabling clean surfaces and compositions matching bulk phases, including the celebrated UTe2. X-ray and ultraviolet photoelectron spectroscopy (XPS/UPS) reveal consistent evolution of the U 4f and Te 3d core levels and valence states across the series, in good agreement with the limited bulk data. Supported by uniform ab initio calculations for all U-Te compounds, we identify systematic trends in U-Te hybridization and charge-transfer effects across the series. These results establish thin-film photoemission as a reliable route for mapping electronic-structure trends in tellurides of heavy elements with diverse electronic ground states.


[101] 2601.13108

Superconductivity in doped symmetric mass generation insulator: a quantum Monte-Carlo study

Understanding unconventional superconductivity (SC) driven by strong electronic correlations is a central challenge in condensed matter physics. In this work, we employ sign-problem-free quantum Monte Carlo (QMC) simulations to systematically investigate a bilayer fermionic model featuring strong interlayer antiferromagnetic (AFM) exchange and on-site repulsive Hubbard interactions. This system serves as a prototypical model for realizing a symmetric mass generation (SMG) insulator. Our numerically exact results unambiguously demonstrate that robust superconducting pairing emerges upon doping the SMG phase. Remarkably, we find that the SC order is significantly enhanced by the repulsive Hubbard interaction. Given its potential relevance to the essential features of the high-$T_c$ superconductor $\mathrm{La}_{3}\mathrm{Ni}_{2}\mathrm{O}_{7}$ under pressure, our study establishes a new paradigm for superconductivity arising from a doped SMG parent state and provides key theoretical guidance for future experimental investigations.


[102] 2601.13119

Robust phonon engineering and symmetry-selective lattice dynamics in CrSBr$_{1-x}$Cl$_{x}$

Atomic substitution provides a controlled route to engineer lattice dynamics in low-symmetry two-dimensional materials. Here, by combining polarization-resolved Raman spectroscopy and first-principles calculations, we investigate the evolution of phonon characteristics in CrSBr$_{1-x}$Cl$_{x}$ ($0 \leq x \leq \sim 0.5$) upon partial substitution of Br with Cl atoms. Progressive Cl substitution of Br induces systematic shifts of parent CrSBr out-of-plane $A_\textrm{g}$ phonon modes and activates additional Raman features. These features persist across different polarization configurations and excitation energies, reflecting substitution-induced symmetry lowering and local lattice perturbations. Explicit supercell phonon calculations combined with Raman $\Gamma$-density-of-states simulations identify these features as symmetry-lowered descendants of parent modes arising from alloy disorder. Complementary strain-dependent calculations reveal that anisotropic lattice compression plays a key role in renormalizing Cr-S dominated phonons. Under near-resonant excitation, stimulated Raman scattering-like amplification remains observable with increasing Cl content, highlighting the resilience of anisotropic electron-phonon coupling in this system.


[103] 2601.13121

Charge Order in the half-filled bond-Holstein Model

We use determinant quantum Monte Carlo to study the half-filled `bond-Holstein' model on a square lattice. We find that the model exhibits a charge-density-wave (CDW) phase transition with a critical temperature $T_\mathrm{cdw}$ considerably higher than that of the canonical `site-Holstein' model. Using a finite-size scaling analysis of the charge structure factor $S_{\rm cdw}$, we obtain $T_\mathrm{cdw}$ to greater than one percent accuracy. At the same time, local observables also show clear signatures consistent with the transition temperatures inferred from our scaling analysis. We attribute the enhanced CDW tendencies to a phonon-mediated nearest-neighbor electron repulsion that is directly proportional to the dimensionless electron-phonon coupling $\lambda$ in the atomic ($t\rightarrow 0$) limit. This behavior contrasts with the site-Holstein case, where the same limit yields only an on-site attraction. We supplement our analysis with results from several unsupervised machine learning methods, which not only confirm our estimates of $T_\mathrm{cdw}$ but also provide insight into the high-temperature crossover between a metallic and bipolaron liquid regime.


[104] 2601.13125

Disentangling the Discrepancy Between Theoretical and Experimental Curie Temperatures in Ferroelectric PbTiO$_3$

Accurately predicting the Curie temperature ($T_c$) of ferroelectrics from first principles remains a major challenge, as theoretical estimates often fall significantly below experimental values. In this work, we investigate the origin of these discrepancies in the prototypical ferroelectric PbTiO$_3$ by performing extensive constant-pressure ab initio molecular dynamics (AIMD) simulations and benchmarking them against classical molecular dynamics (MD) using machine learning force fields (MLFFs) derived from first-principles data. Our results show that the underestimation of $T_c$ primarily stems from the limitations of the exchange-correlation functional, rather than inaccuracies in the MLFF fitting. We uncover a critical interplay between finite-size effects and the range of interatomic interactions: although short-range MLFFs appear to yield better agreement with experimental $T_c$, this improvement results from a fortuitous cancellation of errors. Incorporating explicit long-range interactions improves accuracy for larger supercells but ultimately leads to lower predicted $T_c$ values. These findings highlight that accurate finite-temperature predictions require not only high-quality training data and sufficiently large simulation cells, but also the explicit treatment of long-range interactions and improved exchange-correlation functionals.


[105] 2601.13154

Magnetism and 3D Electron Diffraction Solution of Hydrated Rubidium-Ruthenium Oxide Rb$_2$Ru$_2$O$_7$.H$_2$O

The crystal structure of Rb$_2$Ru$_2$O$_7$.H$_2$O was determined by three-dimensional electron diffraction from the individual crystallites of a solid-state powder product. Rb$_2$Ru$_2$O$_7$.H$_2$O crystallizes in space group \textit{C}2/\textit{c} ($a=7.841(3)$ Å, $b=12.500(3)$ Å, $c=8.392(2)$ Å, $\beta=93.57(4)^\circ$, Z=4). The structure contains infinite chains that run normal to the (101) plane and consist of alternating RuO$_6$ octahedra and square-pyramidal RuO$_5$ units connected via shared O-O edges. Magnetic properties were measured on the bulk powder, showing a diamagnetic baseline from 300 to 60 K with a small Curie tail below 55 K. The magnetic moment, calculated from the 1.8 K isotherm, saturates at $M=4.4\times10^{-3}\,\mu_\mathrm{B}\,\mathrm{Ru}^{-1}$, much less than would be expected for $S=1$ ruthenium. Bond-valence-sum analysis indicates high-valent Ru, and the near-diamagnetic response is consistent with the edge-sharing Ru-Ru motif, where weak direct Ru-Ru overlap yields a local singlet.


[106] 2601.13156

Machine Learning Guided Polymorph Selection in Molecular Beam Epitaxy of In2Se3

Indium selenide (In2Se3), a layered chalcogenide with multiple polymorphs, is a promising material for optoelectronic and ferroelectric applications. However, achieving polymorph-pure thin films remains a major challenge due to the complex growth space. In this work, Bayesian Optimization (BO) is successfully leveraged to guide the molecular beam epitaxy (MBE) growth of In2Se3 on Al2O3 substrates. By training a predictive Gaussian Process Regressor with sequential learning, we efficiently explored substrate temperature, indium flux, selenium flux, and cracker temperature, reducing experimental trials required for successful synthesis. A {\gamma}-In2Se3 film with 91% phase purity was achieved after fewer than ten trials. Attempts to isolate {\alpha}-In2Se3 were limited by amorphous film formation at low temperatures, indicating that single-step co-deposition is unsuitable for crystalline {\alpha}-In2Se3 on Al2O3. Overall, this study validates Bayesian Optimization as a powerful approach for phase-selective growth in complex materials systems.


[107] 2601.13163

Counting unlabelled multigraphs with three nodes

Unlabeled multigraphs have diverse applications across scientific fields, from transportation and social networks to polymer physics. In particular, multigraphs are essential for studying the relationship between the spatial organization and biological function of chromatin, which is often folded into complex polymer networks whose structure is closely tied to patterns of gene expression. A fundamental yet challenging aspect in applying graph theory to these areas is the enumeration of multigraphs, especially under structural constraints For example, when coupled with the statistical mechanics of polymer networks, the ability to identify traversable and connected multigraphs provides powerful tools for predicting statistically favored motifs that may arise within chromatin networks. In this work, by counting the adjacency matrices, we derive polynomial expressions that enumerate all connected, undirected, and unlabeled multigraphs with three nodes and fixed degree, and provide a method to efficiently generate them.


[108] 2601.13169

Abelian and non-Abelian fractionalized states in twisted MoTe$_2$: A generalized Landau-level theory

Fractional Chern insulators are lattice analogs of fractional quantum Hall states that realize fractionalized quasiparticles without an external magnetic field. A key strategy to understand and design these phases is to map Chern bands onto Landau levels (LLs). Here, we introduce a universal framework that variationally decomposes Bloch bands into generalized LLs, providing a controlled and quantitative characterization of their effective LL nature. Applying this approach to twisted bilayer MoTe$_2$ modeled by first-principles-derived moiré Hamiltonians, we find that the first moiré valence band is dominated by the generalized zeroth LL across a broad range of twist angles, facilitating the formation of Abelian fractional Chern insulators in the Jain sequences. The second moiré band, renormalized via Hartree-Fock calculations at hole filling $\nu_h = 2$, is dominated by the generalized first LL at twist angles $\theta = 2.45^\circ$ and $2.13^\circ$. At $\theta = 2.45^\circ$, we find numerical evidence for a non-Abelian Moore--Read (MR) state at $\nu_h = 5/2$, with consistent signatures in both the energy spectrum and the particle entanglement spectrum. Interpolation studies further demonstrate an adiabatic connection between this state and the MR state in the conventional first LL. In contrast, at $\theta = 2.13^\circ$, a charge-density-wave state prevails in the competition with the MR state due to the larger bandwidth. Our variational mapping provides a theoretical framework for exploring exotic fractionalized phases, including non-Abelian states, in realistic systems.


[109] 2601.13172

Electronic phonon induced magnetism in moiré Mott-Wigner crystals

We show that magnetism in moiré Mott-Wigner crystals can be induced by the collective vibration of electrons around their equilibrium positions (i.e., electronic phonons), even without spin interactions between electrons. Due to a geometric valley-orbit coupling from the Berry phase effect, the zero-point energy of electronic phonons reaches minimum when electrons are fully valley polarized. This leads to a spontaneous magnetization when below a critical temperature. We also propose to engineer the magnetism through the photoexcitation of chiral electronic phonons.


[110] 2601.13215

Beta-AlGaO/Ga2O3 Tri-Gate MOSHEMT with 70GHz fT and 55GHz fmax

We report Beta-AlGaO/Ga2O3 tri-gate heterostructure MOSHEMTs incorporating a thin 5 nm Al2O3 gate oxide layer for improved gate control and reduced leakage. The devices were fabricated on AlGaO/GaO heterostructures grown by ozone MBE on Fe-doped Ga2O3 (010) substrates. The tri-gate MOSHEMTs, with 1 micron-wide fins and Lg=155 nm, exhibit a peak current-gain cut-off frequency fT=70 GHz and a power-gain cut-off frequency fMAX=55 this http URL fT.L product of 10.85 GHz-micron is the highest among reported Ga2O3 FETs to date. The devices show Vth =-0.5 V, an on/off ratio 10^6 I=80 mA/mm, a peak gm=60 mS/mm, and a low gate leakage current of 10^(-10) mA/mm at Vgs=0.5 V. Passivation with a 100 nm ALD Al2O3 layer effectively removes DC/RF dispersion and maintains stable operation under pulsed IV and repeated RF measurements. These results demonstrate the potential of tri-gate AlGaO/GaO MOSHEMTs for next-generation high-frequency and high-power applications.


[111] 2601.13219

Dopant-Induced Symmetry Breaking Reveals Hidden Magnons in a Spin-Orbit Correlated Material

Correlated materials with competing spin-orbit and crystal-field interactions can host composite spin-orbital magnons that are highly susceptible to structural and electronic perturbations, enabling control of magnetic dynamics beyond spin-only physics. Using Raman spectroscopy on Ca$_2$RuO$_4$, we show that the partial substitution of Ru by Mn reconstructs the magnon spectrum and leads to one-magnon modes that are hidden in the undoped state. We demonstrate that the transition-metal substitution activates otherwise symmetry-forbidden magnon modes through mirror-symmetry breaking of the underlying spin-orbital configuration. This effect can be theoretically explained by the local structural distortions induced in the RuO$_6$ octahedra near the dopant, that enable the observation of mixed-parity one-magnon modes. The uncovered mechanism demonstrates how spin-orbit-lattice entanglement can be exploited to control collective magnetic excitations in spin-orbit correlated materials.


[112] 2601.13223

Properties of topological insulators and superconductors under relativistic gravity

The interplay between the curved spacetimes of general relativity and quantum mechanical systems is an active field of research. However, analysis of relativistic gravitation on extended quantum systems remains understudied. To this end, we study here the effects of a general relativistic curved spacetime on the topological phases of the Su-Schrieffer-Heeger model and Kitaev superconducting wire. We find that the topological states remain robust and well localized. In the topological insulator we find that the energy level of the topological state becomes shifted away from zero according to the gravitational redshift, breaking the system's chiral symmetry. In contrast, the Majorana zero mode of the topological superconductor remains at zero energy. Furthermore, within the topological superconductor, we identify the possibility of a gravitationally induced topological phase transition leading to the formation of a domain wall, shifting one of the boundary Majorana zero modes into the bulk.


[113] 2601.13226

Anomalous diffusion and localization in a disorder-free atomic mixture

The concept of random walk, in which particles or waves undergo multiple collisions with the microscopic constituents of a surrounding medium, is central to understanding diffusive transport across many research areas. However, this paradigm may break down in complex systems, where quantum interference and memory effects render the particle propagation anomalous, often fostering localization. Here we report on the observation of such anomalous dynamics in a minimal setting: an ultracold mass-imbalanced mixture of two fermionic gases in three dimensions. We release light impurities into a gas of heavier atoms and follow their evolution across different collisional regimes. Under strong interspecies interactions, by lowering the temperature we unveil a crossover from normal diffusion to subdiffusion. Simultaneously, a localized fraction of the light gas emerges, displaying no discernible dynamics over hundreds of collisions. Our findings, incompatible with the conventional Fermi-liquid picture, are instead captured by a model of an atom propagating through a (quasi-)static disordered landscape of point-like scatterers. These results highlight the key role of quantum interference in our mixture, which emerges as a versatile platform for exploring disorder-free localization phenomena.


[114] 2601.13229

A functionally reversible probabilistic computing architecture enabled by interactions of current-controlled magnetic devices

Probabilistic computers replace logic gates with networks of interacting random variables, creating bidirectional systems that can back-derive inputs from outputs. Such architectures enable efficient generation of random samples, implementations of novel algorithms, and natural solutions to classically hard problems such as prime factorization. We present a new physical implementation for these networks: ferromagnetic disks whose magnetization switching process is triggered by current pulses, skewed by external magnetic fields, and randomized by ambient thermal noise. We show that geometry-dependent magnetostatic interactions between these magnetic cells lead to system behavior that emulates deterministic logic gates. Furthermore, by chaining multiple "gates," we achieve a highly accurate bidirectional one-bit full-adder, a proof of concept for complex multi-gate logic functions with reversible information flow. This analog magnetic probabilistic computer methodology improves on other implementations in speed, tunability, and energy efficiency, thereby enabling a powerful new pathway towards practical solution of classically hard problems.


[115] 2601.13231

High-Resolution Capacitance Dilatometry of Microscopically Thin Samples Using a Miniature Dilatometer

We present a novel application of our high-resolution capacitance dilatometer, specifically engineered for the precise characterization of quantum materials. These materials, which often appear as ultrathin, platelet-shaped crystals, are known for exotic phenomena such as superconductivity, topological order and quantum spin liquid. However, these crystals seldom reach macroscopic dimensions, making them unsuitable for conventional dilatometry techniques. By introducing a modified sample-mounting configuration, our design enables high-resolution measurements of thermal expansion and magnetostriction along in-plane crystallographic directions in samples with thicknesses well below 500 $\mu$m. Validation measurements using a Quantum Design PPMS system confirm reliable performance for a 300 $\mu$m-thick silver platelet, relatively hard ferromagnetic EuB$_6$ single crystals down to 50 $\mu$m, and a 40 $\mu$m-thin, soft AgCrS$_2$ single crystal. This advancement significantly broadens the applicability of capacitance dilatometry, providing a powerful platform for investigating emergent phenomena in reduced-dimensional quantum systems.


[116] 2601.13239

Rotating Magnetocaloric Effect in First-order Phase Transition Material Gd5Si2Ge2

The rotating magnetocaloric effect (RMCE) induced by self-demagnetization has been investigated in the giant magnetocaloric effect (GMCE) material Gd$_5$Si$_2$Ge$_2$. This shape-dependent effect had thus far only been reported in pure Gd, marking this as the first analysis of the effect in a sample with a magnetostructural first-order phase transition. By rotating the applied magnetic field vector while keeping its intensity constant, the demagnetizing field within a high-aspect ratio sample changes significantly, resulting in a RMCE. We characterize RMCE by determining the adiabatic temperature change ($\Delta T_{ad}^{rot}$) directly through temperature measurements, and the isothermal entropy change ($\Delta S_M^{rot}$) via magnetometry and magnetostatic simulations. We obtain a remarkable maximum $\Delta T_{ad}^{rot}$ of 1.77 K for a constant external field of 0.8 T, higher than that obtained under 1.0 T. The magnetostatic simulations not only corroborate the highly non-monotonous field-dependence of $|\Delta S_{M}^{rot}|$, which reaches 95\% of its maximum value at 0.8 T, 6.12 J K$^{-1}$ kg$^{-1}$ for the experimentally measured shape, but also estimate a 35\% increase in the maximum $|\Delta S_{M}^{rot}|$ up to 8.67 J K$^{-1}$ kg$^{-1}$ in a simulated shape with higher aspect ratio.


[117] 2601.13242

Quantum Entanglement and Teleportation of Magnons in Coupled Spin Chains

This study explores how entanglement and quantum teleportation of magnons can be achieved in coupled spin chain systems. By utilizing different magnetic configurations, we show that parallel spin chains function like magnonic beam splitters, whereas anti-parallel chains produce two-magnon squeezing and strong entanglement. Combining these components, we design magnonic circuits capable of continuous-variable quantum entanglement and teleportation, supported by quantum Langevin simulations.


[118] 2601.13255

The Anderson impurity model from a Krylov perspective: Lanczos coefficients in a quadratic model

We study the Lanczos coefficients in a quadratic model given by an impurity interacting with a multi-mode field of fermions, also known as single impurity Anderson model. We analytically derive closed expressions for the Lanczos coefficients of Majorana fermion operators of the impurity for different structures of the coupling to the hybridisation band at zero temperature. While the model remains quadratic, we find that the growth of the Lanczos coefficients structurally depends strongly on the chosen coupling. Concretely, we find $(i)$ approximately constant, $(ii)$ exactly constant, $(iii)$ square root-like as well $(iv)$ linear growth in the same model. We further argue that in fact through suitably chosen couplings, essentially arbitrary Lanczos coefficients can be obtained in this model. These altogether evince the inadequacy of the Lanczos coefficients as a reliable criterion for classifying the integrability or chaoticity of the systems. Eventually, in the wide-band limit, we find exponential decay of autocorrelation functions in all the settings $(i)-(iv)$, which demonstrates the different structures of the Lanczos coefficients not being indicative of different physical behavior.


[119] 2601.13274

Structure and Memory Control Self-Diffusion in Active Matter

Despite extensive progress in characterizing the emergent behavior of active matter, the microscopic origins of self-diffusion in interacting active systems remain poorly understood. Here, we develop a framework that quantitatively links self-diffusion to collisional forces and their temporal correlations in active fluids. We show that transport is governed by two contributions: an equal-time suppression of motion arising from anisotropic collisional forces, and a memory correction associated with the temporal persistence of these forces. Together, these effects yield an exact expression for the self-diffusivity in terms of measurable force statistics and correlation times. We apply this framework to purely repulsive active Brownian particles and find that self-diffusion is always reduced, with collisional memory acting as a strictly dissipative correction. Our results establish a direct connection between microscopic force correlations and macroscopic transport, providing a general mechanical perspective for interpreting self-diffusion in active matter.


[120] 2601.13283

Surface Phonon Hall Viscosity Induced Phonon Chirality and Nonreciprocity in Magnetic Topological Insulator Films

The surface half-quantum Hall effect, a hallmark consequence of axion electrodynamics, can be induced by gapping out the surface states of topological insulators through surface magnetization, and has led to a variety of topological response phenomena observed in experiments. In this work, we investigate phonon dynamics originating from an acoustic analog - the surface phonon Hall viscosity - that can also occur at the surface of magnetic topological insulators. This surface phonon Hall viscosity stems from the Nieh-Yan action in the strain response of topological insulators, where strain acts as the effective vierbein field for the bulk low-energy massive Dirac fermions. Crucially, this viscosity term entangles phonon dynamics with surface magnetization. In magnetic topological insulator films, we find that this interaction causes acoustic phonons to become chiral when the magnetization at the top and bottom surfaces is parallel, and nonreciprocal when it is anti-parallel. We further discuss potential experimental signatures of phonon dynamics induced by surface phonon Hall viscosity, specifically the phonon thermal Hall effect and magnon-polarons. Surface phonon Hall viscosity provides a mechanism to control phonon chirality and nonreciprocity via surface magnetization configurations in magnetic topological insulator films.


[121] 2601.13285

Resistivity anomalies and intrinsic spin-orbit coupling in superconducting thin film solid solutions of Nb$_{1-x}$U$_x$ for $0.15 < x < 0.40$

Polycrystalline thin films of $\mathrm{Nb}_{1-x}\mathrm{U}_{x}$ solid solutions with $0.15\leq x \leq 0.40$ were prepared via d.c. magnetron sputtering at ambient conditions. X-ray characterisation of the samples revealed a systematic shift of the (110) Nb Bragg reflection with U concentration, consistent with substitutional replacement of the Nb by U. Superconductivity was observed in all samples below $2$ K. Analysis of the superconducting critical fields revealed a direct scaling of the spin-orbit scattering and transport scattering times, indicating Elliott-Yafet-type spin relaxation in the system. Magnetoresistivity measurements showed a feature in the range $4$ K $\leq T \leq30$ K suggesting a possible a complex interplay between electron-electron interaction and localisation physics.


[122] 2601.13290

Epitaxial thin film growth in the U-Ge binary system

We explore the U-Ge phase diagram using thin film growth by co-deposition of U and Ge via d.c. magnetron sputtering. Using three different single crystal substrates - MgO, CaF$_2$ and SrTiO$_3$ - we have stabilised mixed phase films of mostly UGe$_3$ and UGe, with evidence of UGe$_2$ as well. At higher temperatures UO$_2$ forms as a consequence of gettering of oxygen from several types of substrate. Several UGe$_3$ dominated samples grown on MgO substrates have also been characterised electrically, showing residual resistivity ratios up to six.


[123] 2601.13292

Symmetry-broken superconducting configurations from density functional theory for bcc and hcp metals and Nb3Sn

We recently proposed a unified theoretical framework for superconductivity that broadens the applicability of Bardeen-Cooper-Schrieffer (BCS) theory to both conventional and unconventional superconductors. Within this framework, superconductivity arises from the formation of a symmetry-broken superconducting configuration (SCC) generated by atomic perturbations of the normal conducting configuration (NCC). The SCC emerges through electron-phonon interaction and gives rise to distinct straight one-dimensional tunnels (SODTs) in the charge density difference of electrons and/or holes. These SODTs originate from regular and systematic atomic displacements between the SCC and NCC, a phenomenon revealed by density functional theory (DFT) calculations. To further verify this framework, we performed DFT-based calculations for 12 hexagonal close-packed (hcp) elements (Be, Mg, Sc, Y, Ti, Zr, Hf, Tc, Re, Ru, Os, and Zn), 5 body-centered cubic (bcc) elements (V, Nb, Ta, Mo, and W), and the compound Nb3Sn. Our results indicate that all these materials exhibit superconductivity at 0 K and 0 GPa, as evidenced by the predicted SODTs. Notably, Mg, Sc, and Y are predicted to be superconducting under ambient pressure, a finding that awaits experimental confirmation.


[124] 2601.13298

Towards reliable electrical measurements of superconducting devices inside a transmission electron microscope

Correlating structure with electronic functionality is central to the engineering of quantum materials and devices whose properties depend sensitively on disorder. Transmission electron microscopy (TEM) offers high spatial resolution together with access to structural, electronic, and magnetic degrees of freedom. However, electrical transport measurements on functional quantum devices remain rare, particularly at liquid helium temperature. Here, we demonstrate electrical transport measurements of niobium nitride (NbN) devices inside a TEM using a continuous-flow liquid-helium-cooled sample holder. By optimizing a thermal radiation shield to limit radiation from the nearby pole pieces of the objective lens, we achieve an estimated base sample temperature of 8-9 K, as inferred from the superconducting transition temperatures of our devices. We find that both electron beam imaging and the magnetic field of the objective lens perturb the superconducting state, because the base sample temperature is close to the superconducting transition temperature of NbN. Finally, we perform calculations that underscore the importance of cryo-shielding for minimizing thermal radiation onto the device. This capability enables correlative low-temperature TEM studies, in which structural, spectroscopic, and electrical transport data can be obtained from the same device, thereby providing a platform for probing the microscopic origins of quantum phenomena.


[125] 2601.13314

Two-Point Stabilizer Rényi Entropy: a Computable Magic Proxy of Interacting Fermions

Quantifying non-stabilizerness (``magic'') in interacting fermionic systems remains a formidable challenge, particularly for extracting high order correlations from quantum Monte Carlo simulations. In this Letter, we establish the two-point stabilizer Rényi entropy (SRE) and its mutual counterpart as robust, computationally accessible probes for detecting magic in diverse fermionic phases. By deriving local estimators suitable for advanced numerical methods, we demonstrate that these metrics effectively characterize quantum phase transitions: in the one-dimensional spinless $t$-$V$ model, they sharply identify the Luttinger liquid to charge density wave transition, while in the two-dimensional honeycomb lattice via determinant quantum Monte Carlo, they faithfully capture the critical exponents of the Gross-Neveu-Ising universality class. Furthermore, extending our analysis to the fractional quantum Hall regime, we unveil a non-trivial spatial texture of magic in the Laughlin state, revealing signatures of short-range exclusion correlations. Our results validate the two-point SRE as a versatile and sensitive diagnostic, forging a novel link between quantum resource theory, critical phenomena, and topological order in strongly correlated matter.


[126] 2601.13339

Colossal low-field negative magnetoresistance in CaAl$_{2}$Si$_{2}$-type diluted magnetic semiconductors (Ba,K)(Cd,Mn)$_{2}$As$_{2}$

We report the magnetic and magnetotransport properties of the layered CaAl$_2$Si$_2$-type diluted magnetic semiconductor (Ba$_{1-x}$K$_x$)(Cd$_{1-y}$Mn$_y$)$_2$As$_2$ over a broad Mn (spin) substitution range of $0.05 \le y \le 0.5$. K substitution introduces hole carriers, whereas Mn provides local moments, resulting in bulk ferromagnetism with Curie temperatures up to $\sim 17$ K. Intrinsic magnetic ordering is further supported by an anomalous Hall contribution and a specific-heat anomaly near $T_{\mathrm{C}}$. A key performance feature is a colossal negative magnetoresistance: for heavily Mn-doped compositions ($y \ge 0.3$), $\mathrm{MR}=[\rho(H)-\rho(0)]/\rho(0)$ reaches approximately $-100\%$ at 2 K and nearly saturates at a relatively low magnetic field of $\sim 0.35\,\mathrm{T}$. The combination of soft ferromagnetism, strong spin-charge coupling, and low-field MR saturation highlights (Ba,K)(Cd,Mn)$_2$As$_2$ as a promising bulk platform for low-temperature magnetoresistive functionalities.


[127] 2601.13344

Inferring rotations using a bosonic Josephson junction

Rotation and quantum tunneling are fundamental concepts in physics, and their interplay in the ultracold atomic systems is of particular interest. In this theoretical work, we explore how tunneling dynamics in a bosonic Josephson junction are modified when the system is placed in a rotating, non-inertial frame. We show that the tunneling dynamics of ultracold bosons in a two-dimensional double-well potential offer an alternative pathway for inferring the rotation frequency. Using the mean-field and many-body analyses, we demonstrate that rotation strongly modifies the tunneling time period as well as the momentum and angular momentum dynamics. When the rotation axis passes through the center of the double well, the observables show distinct dynamical responses with increasing rotation frequency, enabling the rotation frequency to be assessed from changes in the tunneling dynamics. When the potential is displaced from the rotation axis, the rotation induces asymmetric tunneling and partial self-trapping, allowing both the rotation frequency and the displacement to be inferred. We further show that for an off-centered double well, the tunneling dynamics exhibit a pronounced orientation dependence, enabling the orientation of the double well to be inferred from the observed dynamics. The many-body analysis further shows that the depletion dynamics are strongly influenced by rotation, providing an additional tool for assessing the rotation frequency. Finally, we study the effect of time-dependent rotation in which the double well is gradually set into motion in the laboratory frame and identify distinct dynamical signatures that depend sensitively on the switching time. Together, these results establish a comprehensive framework for inferring the rotation frequency, radial displacement, and orientation directly from the tunneling dynamics.


[128] 2601.13366

Intrinsic Negative-U Centers in Freestanding LaAlO3/SrTiO3 Micro-membranes

The LaAlO3/SrTiO3 (LAO/STO) interface hosts a rich range of electronic phenomena, including unconventional electron pairing that in quantum dots gives rise to a negative effective charging energy U. Here, we show freestanding LAO/STO micro-membranes naturally hosting negative-U centers, where lateral confinement arises intrinsically, rather than from engineered nanostructures. These centers coexist with gate-tunable superconductivity and can remain stable upon thermal cycling from millikelvin temperatures to room temperature. Transport is in excellent agreement with calculations based on a negative-U Anderson model, and electrostatic simulations indicate characteristic center sizes of 20-80 nm. Our findings suggest that negative-U centers may arise from the intrinsic interfacial inhomogeneity typical of LAO/STO, and should therefore be considered a general feature of the LAO/STO interface. This could have important consequences for the microwave response of interfacial superconducting devices.


[129] 2601.13369

Loopless multiterminal quantum circuits at odd parity

We theoretically investigate loopless multiterminal hybrid superconducting devices at odd fermion parity with time-reversal symmetry. We find that the energy-phase relationship has a double minimum corresponding to opposite windings of the superconducting phases. Spin-orbit coupling adds multi-axial spin splittings, which contrasts with two-terminal devices where spin dependence is uniaxial. Capacitive shunting localizes quantum circuit states in the wells and exponentially suppresses their splitting. For weak spin-orbit strength, the system has a four-dimensional spin-chirality low-energy subspace which can be universally controlled with electric fields only.


[130] 2601.13397

Wang-Landau study of lattice gases on geodesic grids

We study a family of lattice-gas systems defined on semiregular grids, obtained by projecting the vertices of three different geodesic icosahedra onto a spherical surface. By using couplings up to third neighbors we explore various interaction patterns, ranging from core-corona repulsion to square-well attraction and short-range attractive, long-range repulsive potentials. The relatively small number of sites in each grid ($\sim 100$) enables us to compute the exact statistical properties of the systems as a function of temperature and chemical potential by Wang-Landau sampling. For each case considered we highlight the existence of distinct low-temperature ``phases'', featuring, among others, regular-polyhedral, cluster-crystal, and worm-like structures. We highlight similarities and differences between these motifs and those observed on the triangular lattice under the same conditions. Finally, we discuss the relevance of our results for the bottom-up realization of spherical templates with desired functionalities.


[131] 2601.13414

Renewal theory for Brownian motion across a stochastically gated interface

Stochastically gated interfaces play an important role in a variety of cellular diffusion processes. Examples include intracellular transport via stochastically gated ion channels and pores in the plasma membrane of a cell, intercellular transport between cells coupled by stochastically gated gap junctions, and oxygen transport in insect respiration. Most studies of stochastically-gated interfaces are based on macroscopic models that track the particle concentration averaged with respect to different realisations of the gate dynamics. In this paper we use renewal theory to develop a probabilistic model of single-particle Brownian motion (BM) through a stochastically gated interface. We proceed by constructing a renewal equation for 1D BM with an interface at the origin, which effectively sews together a sequence of BMs on the half-line with a totally absorbing boundary at $x=0$. Each time the particle is absorbed, the stochastic process is immediately restarted according to the following rule: if the gate is closed then BM restarts on the same side of the interface, whereas if the gate is open then BM restarts on either side of the interface with equal probability. In order to ensure that diffusion restarts in a state that avoids immediate re-absorption. we assume that whenever the particle reaches the interface it is instantaneously shifted a distance $\epsilon$ from the origin. We explicitly solve the renewal equation for $\epsilon>0$ and show how the solution of a corresponding forward Kolmogorov equation is recovered in the limit $\epsilon\rightarrow 0$. However, the renewal equation provides a more general mathematical framework by explicitly separating the first passage time problem of detecting the gated interface (absorption) and the subsequent rule for restarting BM. We conclude by extending the theory to higher-dimensional interfaces.


[132] 2601.13429

Improving the electrical conductivity of Pt nanowires deposited by focused electron beam induced deposition using thermal annealing

We investigated the electrical conductivity of platinum nanowires with heights ranging from 2 nm to 200 nm, deposited by focused electron beam induced deposition (FEBID). Post-deposition processing was employed to enhance the electrical conductivity of the platinum nanowires. Thermal annealing of as-deposited nanowires in air at 225$^{\circ}$C for 4 hours increased electrical conductance by up to five orders of magnitude. After annealing, 22.5 $\mathrm{\mu m}$-long nanowires with a height of 36 nm exhibited resistances of approximately 10 k$\Omega$. This nanowire underwent a reduction in height to one-quarter of its original value, a reduction in width to one half, and a reduction in cross-sectional area by approximately one order of magnitude. The platinum-to-carbon weight ratio increased from 35:65 to 85:15. The electrical resistance decreased monotonically as temperature was lowered from room temperature to 100 mK, confirming that annealed FEBID platinum nanowires are promising building blocks for nanoelectronic devices operating at millikelvin temperatures.


[133] 2601.13434

Insights into $CO_{2}$ activation on defective ZnS surfaces

In this work, we investigate $CO_{2}$ activation on ZnS using Near Ambient-Pressure X-ray photoelectron spectroscopy measurements (NAP-XPS) and density functional theory calculations (DFT). Our NAP-XPS experiments reveal that $CO_{2}$ adsorbs onto a defective ZnS surface upon heating above $473 \ K$ in a $CO_{2}$ atmosphere (up to $0.55 \ mbar$). The $CO_{2}$ adsorption fingerprint is detectable even after cooling to room temperature under ultra-high vacuum. Our DFT calculations suggest that $CO_{2}$ adsorption is energetically favorable on ZnS surfaces containing zinc vacancies, highlighting defect sites as key adsorption centers. Additionally, oxygen adsorption on a defective ZnS surface is exothermic, in contrast to the endothermic behavior observed on a defect-free surface. These findings contribute to a deeper understanding of defect-driven surface reactivity and may inform ZnS-based catalyst's design for $CO_{2}$ capture and reutilization.


[134] 2601.13439

Strongly Quenched Kramers Doublet Magnetism in SmMgAl11O19

We report magnetic susceptibility, isothermal magnetization, and specific-heat measurements on the rare-earth hexaaluminate SmMgAl$_{11}$O$_{19}$, where Sm$^{3+}$ realizes a strongly quenched Kramers doublet on a triangular lattice with an exceptionally weak net exchange scale. The Curie--Weiss analysis yields strongly reduced ground-doublet $g$ factors, $g_{ab}\simeq 0.65$ and $g_{c}\simeq 0.70$. This indicates that the low-temperature response is governed primarily by single-ion physics, with crystal-field splitting and $J$-multiplet mixing jointly renormalizing the Sm$^{3+}$ moment, rather than collective exchange. For $H \parallel c$, the specific heat shows no $\lambda$-type anomaly down to 0.35~K but evolves into a well-defined two-level Schottky peak whose gap grows linearly with field, yielding $g_c\simeq0.62$ and recovering nearly all of $R\ln2$ at high fields, thereby confirming an effective $S_{\mathrm{eff}}=\tfrac12$ Kramers doublet description for $T\lesssim10$~K. Together, these results establish SmMgAl$_{11}$O$_{19}$ as a weak-exchange, nearly single-ion triangular Kramers magnet in which frustration produce an anisotropic low-field correlated regime without inducing long-range order.


[135] 2601.13472

On Thermalization in A Nonlinear Variant of the Discrete NLS Equation

We study the thermalization properties of a fully nonlinear lattice model originally derived from the two-dimensional cubic defocusing nonlinear Schrödinger equation (NLS) using analytical and numerical methods. Our analysis reveals both ergodic and nonergodic regimes; importantly, we find broad parameter ranges where the dynamics is ergodic even though it lies outside the Gibbsian parameter regime (for both $D=0.25$ and $D=2$), and a higher-energy range where ergodicity breaks down. We observe that in a certain range of parameters, the system requires non-standard statistical descriptions, indicating a breakdown of conventional thermalization. We examine the influence of the nonlinear dispersion parameter $D$ on the system's behavior, showing that increasing $D$ enhances fluctuations and speeds up the crossover of $q(T)$ toward the $\sim 1/T$ scaling. By analyzing excursion times, probability density functions, and localization patterns, we characterize transitions between ergodic and nonergodic behavior. In long-time numerical simulations within the non-ergodic regime for $D>1$, stable localization over two sites is observed, while $D<1$ favors single-site localization in the high energy density regimes. Our results provide insights into the interplay between thermalization, localization, and non-standard statistical behavior in genuinely nonlinear systems.


[136] 2601.13485

Quantum Avalanche Stability of Many-Body Localization with Power-Law Interactions

We investigate the stability of the many-body localized phase against quantum avalanche instabilities in a one-dimensional Heisenberg spin chain with long-range power-law interactions ($V\propto r^{-\alpha}$). By combining exact diagonalization of static properties with Lindblad master equation simulations of open-system dynamics, we systematically map the interplay between interaction range and disorder strength. Our finite-size scaling analysis of entanglement entropy identifies a critical interaction exponent $\alpha_c \approx 2$, which separates a fragile regime, characterized by an exponentially diverging critical disorder, from a robust short-range regime. To rigorously test the system's resistance to avalanches, we couple the boundary to an infinite-temperature bath and track the propagation of the thermalization front into the localized bulk. We find that the characteristic thermalization time follows a unified scaling law, $T_{r_{\text{th}}} \sim \exp[\kappa(\alpha) LW]$ (herein, $L$ is the system size, and $W$ is the disorder intensity), which diverges exponentially with the product of system size and disorder strength. This suppression enables the derivation of a quantitative stability criterion, $W_{\text{stab}}(\alpha)$, representing the minimum critical disorder strength required to maintain avalanche stability. Our results confirm that the MBL phase remains asymptotically stable in the thermodynamic limit when disorder exceeds an interaction-dependent threshold, bridging theoretical debates on long-range MBL and providing a roadmap for observing these dynamics in experimental platforms such as Rydberg atom arrays.


[137] 2601.13499

Current-driven nonlinear skyrmion dynamics in altermagnets

The center of mass and helicity are two dynamic degrees of freedom of skyrmions. In this work, we study the current-driven skyrmion motion in frustrated altermagnets. Contrary to conventional wisdom, we find that the skyrmion helicity is not locked with the skyrmion Hall angle, but unidirectionally rotates with a global angular velocity proportional to the square of the current density. In addition, we find that the helicity rotation velocity is highly anisotropic, depending on the direction of current flows. We also observe helicity oscillation in the terahertz regimes, where the nonlinear mixing between the fast and slow modes generates a magnon frequency comb. Full atomistic spin dynamics simulations verify our theoretical predictions. Our results establish frustrated altermagnets as a promising platform for skyrmionics, THz technology, and frequency comb.


[138] 2601.13508

CatMaster: An Agentic Autonomous System for Computational Heterogeneous Catalysis Research

Density functional theory (DFT) is widely used to connect atomic structure with catalytic behavior, but computational heterogeneous catalysis studies often require long workflows that are costly, iterative, and sensitive to setup choices. Besides the intrinsic cost and accuracy limits of first-principles calculations, practical workflow issues such as keeping references consistent, preparing many related inputs, recovering from failed runs on computing clusters, and maintaining a complete record of what was done, can slow down projects and make results difficult to reproduce or extend. Here we present CatMaster, a large-language-model (LLM)-driven agent system that turns natural language requests into complete calculation workspaces, including structures, inputs, outputs, logs, and a concise run record. CatMaster maintains a persistent project record of key facts, constraints, and file pointers to support inspection and restartability. It is paired with a multi-fidelity tool library that covers rapid surrogate relaxations and high-fidelity DFT calculations for validation when needed. We demonstrate CatMaster on four demonstrations of increasing complexity: an O2 spin-state check with remote execution, BCC Fe surface energies with a protocol-sensitivity study and CO adsorption site ranking, high-throughput Pt--Ni--Cu alloy screening for hydrogen evolution reaction (HER) descriptors with surrogate-to-DFT validation, and a demonstration beyond the predefined tool set, including equation-of-state fitting for BCC Fe and CO-FeN4-graphene single-atom catalyst geometry preparation. By reducing manual scripting and bookkeeping while keeping the full evidence trail, CatMaster aims to help catalysis researchers focus on modeling choices and chemical interpretation rather than workflow management.


[139] 2601.13509

Gigahertz-frequency Lamb wave resonator cavities on suspended lithium niobate for quantum acoustics

Phononic nanodevices offer a promising route toward quantum technologies, as phonons combine strong confinement within matter with broad coupling capabilities to various quantum systems. In particular, the piezoelectric response of materials such as lithium niobate enables coupling between superconducting qubits and gigahertz-frequency phonons. However, bulk lithium niobate phononic devices typically rely on surface acoustic waves and are therefore inherently subject to leakage from the surface into the bulk substrate. Here, we explore the acoustic behavior of resonator cavities supporting GHz-frequency Lamb waves in a 200 nm-thick suspended lithium niobate layer. We characterize the acoustic response at both room and millikelvin temperatures. We find that our resonator cavities with strong confinement reach intrinsic quality factors of approximately 6000 at the single phonon level. We use the measured parameters of the resonators to model their coupling to a superconducting transmon qubit, allowing us to evaluate their potential as quantum acoustic devices.


[140] 2601.13510

Probing Fermi-surface spin-textures via the nonlinear Shubnikov-de Haas effect

The coupling of spin and electronic degrees of freedom via the spin-orbit interaction (SOI) is an essential ingredient for many proposed future technologies. However, probing the strength and nature of SOI is a significant challenge, especially in heterostructures. Here, we consider the nonlinear Shubnikov-de Haas (NSdH) effect, a quantum oscillatory effect that occurs under conditions similar to those of the well-known SdH effect, but is second order in the applied electric field. We demonstrate that, unlike its linear counterpart, the NSdH effect is highly sensitive to the spin textures that arise from SOI. In particular, we show that the phase and beating of NSdH oscillations in nonlinear conductivities can clearly distinguish between different types of SOI. As a demonstration, we show how NSdH can distinguish between the linear and cubic Rashba couplings that are expected in germanium heterostructures. Our results establish the NSdH effect as a powerful and sensitive probe of SOI, offering a new framework for characterizing materials relevant to topology, spintronics, and solid-state quantum information technologies.


[141] 2601.13523

Hybrid Epitaxial Al/InGaAs system: Solid-state dewetting and Al facet formation

Hybrid superconductor--semiconductor platforms can host subgap electronic excitations such as Andreev bound states (ABSs); in topological regimes, a special zero-energy class, Majorana bound states (MBSs), can emerge. Here we report the growth of epitaxial Al films by molecular-beam epitaxy on $\mathrm{In_{0.75}Ga_{0.25}As}$ under near-room-temperature substrate conditions. Using a combination of AFM/SEM, cross-sectional TEM, and \emph{in situ} RHEED, we map how substrate temperature and Al deposition rate govern film morphology, continuity, and interface quality. We identify a growth window that yields continuous, superconducting Al films with an abrupt $\mathrm{Al}/\mathrm{In_{0.75}Ga_{0.25}As}$ interface and no detectable indium interdiffusion. We further investigate the thermal stability of these films under \emph{in situ} post-growth heating and \emph{ex situ} annealing following surface oxidation. For unoxidized Al, rapid surface diffusion triggers solid-state dewetting at approximately $165\,^\circ\mathrm{C}$, resulting in the formation of $\{111\}$-faceted Al islands. In contrast, the presence of a native oxide largely suppresses dewetting, with failure occurring only locally at surface defects. Annealing above the indium melting point ($156.6\,^\circ\mathrm{C}$) induces significant In surface migration in both cases, leading either to localized interfacial In inclusions beneath Al agglomerates or to uniform surface contamination at sites of localized layer breakdown. Together, these results define growth and annealing conditions for thermally robust epitaxial Al on III--V semiconductors and provide practical guidance for fabricating high-quality superconductor--semiconductor hybrid platforms for quantum devices.


[142] 2601.13561

Additive-Functional Approach to Transport in Periodic and Tilted Periodic Potentials

We present a unified theoretical framework for effective transport in periodic and tilted periodic potentials based on additive functionals of stochastic processes. By systematically combining the Poisson equation, corrector construction, and martingale decomposition, we show that both the long-time drift and diffusion of overdamped Brownian motion can be derived within a single and transparent scheme. In the absence of external tilt, the formalism naturally recovers the classical Lifson-Jackson formula for the effective diffusion coefficient. When a constant bias is applied, breaking detailed balance and inducing a finite stationary current, the same approach yields the Stratonovich expressions for the effective drift and diffusion in tilted periodic potentials. Beyond one dimension, we demonstrate that the same additive-functional structure extends directly to two-dimensional and general N dimensional periodic diffusions, leading to the standard homogenized drift and diffusion tensor expressed in terms of vector-valued correctors. Our derivation highlights the central role of additive functionals in separating bounded microscopic corrections from unbounded macroscopic transport and clarifies the connection between reversible and nonequilibrium steady states. This work provides a conceptually unified and mathematically controlled route to transport coefficients in periodic media, with direct relevance to stochastic transport, soft matter, and nonequilibrium statistical physics.


[143] 2601.13595

Macroscopic localization and collective memory in Poisson renewal resetting

Stochastic renewal processes are ubiquitous across physics, biology, and the social sciences. Here, we show that continuous-time renewal dynamics can naturally produce a mixed discrete-continuous structure, with a macroscopic fraction of particles occupying a discrete state. For ensembles of continuous-time random walkers subject to Poissonian renewal resets, we develop an age-structured framework showing this discrete component corresponds to localization at the reset configuration. We next show that collective interactions can retain memory although all reset events are memoryless. Remarkably, the transition to collective memory is discontinuous, and we identify a first-order dynamical phase transition between weak collective bias, where the dynamics are stationary, to strong collective bias where the dynamics are nonstationary and display aging up to finite-size effects. We explicitly discuss ecological implications of our work, illustrating how continuous-time renewal dynamics shape macroscopic structure and collective organization with long-term memory.


[144] 2601.13601

Transport of indirect excitons and exciton mediated spin transport in a van der Waals heterostructure in magnetic fields

We studied transport of indirect excitons (IXs) and IX mediated spin transport in a MoSe$_2$/WSe$_2$ van der Waals heterostructure in magnetic fields up to 8 T. We observed the long-range IX transport and the long-range IX mediated spin transport in the magnetic fields. The IX transport and spin transport are characterized by the 1/e decay distances reaching $\sim$ 100 micrometers. The decay distance of the spin transport correlates with the decay distance of IX transport. These decay distances first increase and then decrease with increasing IX density for all studied magnetic fields. The long-range IX transport and the long-range spin transport in the magnetic fields are consistent with the similar long-range transport in zero magnetic field.


[145] 2601.13613

Classical transport theory for the planar Hall effect with threefold symmetry

In recent years, the planar Hall effect (PHE) has become a key probe of Berry curvature and the anomalous Hall effect (AHE). Threefold-symmetric signals under in-plane fields are often attributed to such quantum mechanisms. Here, we establish a purely classical origin for a three-fold-symmetric PHE. The idea is simple yet decisive: a third-order expansion of the Boltzmann equation in the magnetic field reveals that the threefold component originates from the relative positions of the mirror planes in the crystals with respect to the measurement setups. Remarkably, the threefold contribution should be ubiquitous because this symmetry condition can be realized across a broad range of crystals. Numerical estimates based on concrete models further show that its amplitude is comparable to that expected from the AHE.


[146] 2601.13619

Recent progress on disorder-induced topological phases

Topological states of matter in disordered systems without translation symmetry have attracted great interest in recent years. These states with topological characters are not only robust against certain disorders, but also can be counterintuitively induced by disorders from a topologically trivial phase in the clean limit. In this review, we summarize the current theoretical and experimental progress on disorder-induced topological phases in both condensed-matter and artificial systems. We first introduce the topological Anderson insulators (TAIs) induced by random disorders and their topological characterizations and experimental realizations. We then discuss various extensions of TAIs with unique localization phenomena in quasiperiodic and non-Hermitian systems. We also review the theoretical and experimental studies on the disorder-induced topology in dynamical and many-body systems, including topological Anderson-Thouless pumps, disordered correlated topological insulators and average-symmetry protected topological orders acting as interacting TAI phases. Finally, we conclude the review by highlighting potential directions for future explorations.


[147] 2601.13620

Layer Decoupling in Twisted Bilayer WSe$_2$ Uncovered by Automated Dark-Field Tomography

Twisted bilayer systems host a wealth of emergent phenomena, such as flat-band superconductivity, ferromagnetism, and ferroelectricity, arising from moiré superlattices and unconventional interlayer coupling. Despite their central role, direct and quantitative access to the out-of-plane atomic structure in these systems has remained elusive due to their nanoscale dimensions. Here, we introduce an automated dark-field electron tomography technique that enables three-dimensional structural analysis of atomically thin materials with sub-angstrom precision. Applying this method to twisted bilayer WSe$_2$, we uncover a significant expansion of the interlayer spacing compared to the bulk configuration, exceeding 0.1 angstrom, along with a remarkable temperature-driven interlayer decoupling unique to the twisted bilayer. Ultrafast measurement further reveals optically induced interlayer separation of ~0.2 angstrom on the picosecond timescale, attributed to transient exciton formation. These findings not only establish a powerful approach for visualizing hidden out-of-plane structures in atomically thin micro-flake materials, but also uncover the intrinsic fragility and dynamical tunability of interlayer coupling in moiré-engineered 2-dimensional materials.


[148] 2601.13654

When electrons meet ferroelastic domain walls in Strontium Titanate

Strontium titanate (SrTiO$_3$), famously described by Nobel laureate K. A. Müller as the "drosophila of solid-state physics", has been extensively investigated over the last seventy five years for its intricate coupling of structural, electronic, and dielectric properties and continues to serve as a foundational platform for advancing oxide electronics. In its pristine form, SrTiO$_3$ exhibits quantum paraelectric behavior below 35 K and undergoes an antiferrodistortive phase transition near 105 K. This transition generates ferroelastic twin domains separated by a dense network of domain walls, which function as nanoscale structural defects with far-reaching consequences. While the static influence of ferroelastic domain walls on carrier transport in electron-doped SrTiO$_3$ is well established, recent experimental results show that the emergence of polarity at these walls, combined with strain fields and inherent quantum fluctuations, induces correlated dynamical phenomena such as glass-like relaxations of electrons and memory effects. In this review, we highlight these recent advances, focusing on the subtle interplay between the emergence of nanoscale polar order, quantum fluctuations, and long-range strain fields. We propose that understanding charge carrier dynamics in the background of these complex ferroelastic domain wall landscapes offers a new paradigm for exploring electronic transport in the presence of local polar order and quantum fluctuations, with broad implications for correlated oxides.


[149] 2601.13656

GPUTB-2:An efficient E(3) network method for learning high-precision orthogonal Hamiltonian

Although equivariant neural networks have become a cornerstone for learning electronic Hamiltonians, the intrinsic non-orthogonality of linear combinations of atomic orbitals (LCAO) basis sets poses a fundamental challenge. The computational cost of Hamiltonian orthogonalization scales as O(N^3), which severely hinders electronic structure calculations for large-scale systems containing hundreds of thousands to millions of atoms. To address this issue, we develop GPUTB-2, a framework that learns implicitly orthogonality-preserving Hamiltonians by training directly on electronic band structures. Benefiting from an E(3)-equivariant network accelerated by Gaunt tensor product and SO(2) tensor product layers, GPUTB-2 achieves significantly higher accuracy than GPUTB across multiple benchmark systems. Moreover, GPUTB-2 accurately predicts large-scale electronic structures, including transport properties of temperature-perturbed SnSe and the band structures of magic-angle twisted bilayer graphene. By further integrating this framework with the linear-scaling quantum transport (LSQT) method, we investigate the electronic properties of million-atom amorphous graphene and uncover pressure-induced electronic structure transitions in more complex amorphous silicon. Together, these results establish GPUTB-2 as a high-accuracy and scalable approach for predicting orthogonal Hamiltonians.


[150] 2601.13696

Scaling of Two-Dimensional Semiconductor Nanoribbons for High-Performance Electronics

Monolayer transition metal dichalcogenide (TMD) field-effect transistors (FETs), with their atomically thin bodies, are promising candidates for future gate-all-around (GAA) nanoribbon architectures. While state-of-the-art Si GAA nanoribbon transistors feature channel widths in the tens of nanometers, most reported TMD-based FETs remain limited to micrometer-scale dimensions, limiting their relevance for ultra-scaled electronics. In this work, we investigate the channel width scaling in nanoribbon transistors based on monolayer MoS2 grown on 2-inch wafers, achieving widths of approximately 30-40 nm. Remarkably, nanoribbon width scaling enhances the on-current by 30-40%, reaching up to 700 uA/um for the smallest-width devices, while also improving the subthreshold slope (SS) to as low as 70 mV/dec. This enhancement is attributed to a stronger electric field at the nanoribbon edges without significant degradation from edge-related scattering. To further demonstrate the scalability of the nanoribbon device, we evaluate the variability of extremely scaled monolayer MoS2 nanoribbon transistor arrays featuring a contact pitch of 60 nm and an effective oxide thickness (EOT) of approximately 0.9 nm. Beyond MoS2, we extend the nanoribbon structure to WS2 n-type and WSe2 p-type FETs, demonstrating a viable path toward complementary monolayer TMD nanoribbon FETs for future ultra-scaled electronics.


[151] 2601.13721

Near-atomic investigation on the elemental redistribution during co-precipitation of nano-sized kappa phase and B2 phase in an Al-alloyed lightweight steel

In the present study, correlative transmission Kikuchi diffraction transmission electron microscopy (TKD-TEM) measurements, atom probe tomography (APT), and density functional theory (DFT) calculations are used to reveal the elemental redistribution during co-precipitation of nanosized kappa and B2 phases in an FCC matrix of an Al alloyed Fe-10Al-7Mn-6Ni-1C (wt.%) steel. Upon ageing at 800 C for 15 min, two co-nanoprecipitation modes are observed: B2 forming together with kappa and B2 forming separately from kappa in the FCC matrix. APT reveals that the B2 precipitate next to kappa (referred to as B2I) is close to an FeAl type phase, while the isolated B2 precipitate (referred to as B2II) is close to a NiAl type phase. The kappa precipitates maintain a nearly constant Al content of approximately 18.4 at.% regardless of their precipitation position. DFT confirms that kappa may accommodate limited Ni substitution at Fe sites without losing structural stability, and that Fe Ni atomic exchange between kappa and B2 is thermodynamically favorable at 800 C. This exchange drives the B2 phase to evolve from a NiAl type towards an FeAl type, improving the stability of both phases during co-precipitation. These results provide understanding of kappa B2 interactions and offer insights for designing nanosized intermetallic strengthened microstructures in Al alloyed lightweight steels.


[152] 2601.13723

Large magneto-optical Kerr effect induced by collinear antiferromagnetic order

In modern technology, the optical readout of magnetic information is conventionally achieved by the magneto-optical Kerr effect, i.e., the polarization rotation of reflected light. The Kerr rotation is sensitive to time-reversal symmetry breaking and generally proportional to magnetization, enabling optical readout of the up and down spin states in ferromagnets. By contrast, antiferromagnets with a collinear antiparallel spin arrangement have long been considered inactive to such magneto-optical responses, because of Tt-symmetry (time-reversal T followed by translation t symmetry) and lack of macroscopic magnetization. Here, we report the observation of giant magneto-optical Kerr effect in a room-temperature antiferromagnetic insulator alpha-Fe2O3. In this compound, the up-down and down-up spin states induce the opposite sign of spontaneous Kerr effect, whose Kerr rotation angle turned out to be exceptionally large (~ 80 mdeg, comparable to typical ferromagnets). Our first-principles calculations successfully reproduce both the absolute magnitude and spectral shape of the Kerr rotation and ellipticity with remarkable accuracy, which unambiguously proves that it originates from a Tt-symmetry-broken collinear antiferromagnetic order, rather than magnetization. This compound hosts temperature-dependent transition between easy-plane and easy-axis antiferromagnetic states, and their contrasting behaviors are also investigated in detail. The present results demonstrate that even a simple collinear antiferromagnetic order can induce a giant magneto-optical Kerr effect, and highlight Tt-symmetry-broken antiferromagnets as a promising material platform for highly sensitive optical detection of up-down and down-up spin states.


[153] 2601.13760

Topological Anderson insulator and reentrant topological transitions in a mosaic trimer lattice

We study the topological properties of a one-dimensional quasiperiodic-potential-modulated mosaic trimer lattice. To begin with, we first investigate the topological properties of the model in the clean limit free of quasiperiodic disorder based on analytical derivation and numerical calculations of the Zak phase $Z$ and the polarization $P$. Two nontrivial topological phases corresponding to the $1/3$ filling and $2/3$ filling, respectively, are revealed. Then we incorporate the mosaic modulation and investigate the influence of quasiperiodic disorder on the two existing topological phases. Interestingly, it turns out that quasiperiodic disorder gives rise to multiple distinct effects for different fillings. At $2/3$ filling, the topological phase is significantly enhanced by the quasiperiodic disorder and topological Anderson insulator emerges. Based on the calculations of polarization and energy gap, we explicitly present corresponding topological phase diagram in the $\lambda-J$ plane. While for the $1/3$ filling case, % the topological phase is dramatically suppressed by the same quasiperiodic disorder. the quasiperiodic disorder dramatically compresses the topological phase, and strikingly, further induces the emergence of reentrant topological phase transitions instead. Furthermore, we verify the topological phase diagrams by computing the many-body ground state fidelity susceptibility for both the $1/3$ filling and $2/3$ filling cases. Our work exemplifies the diverse roles of quasiperiodic disorder in the modulation of topological properties, and will further inspire more research on the competitive and cooperative interplay between topological properties and quasiperiodic disorder.


[154] 2601.13762

On the Optimal Layout of Two-Dimensional Lattices for Density Matrix Renormalization Group

For quantum spin models defined on a two-dimensional lattice, we look for the best numbering of the lattice sites (a layout) that, at fixed bond dimension and other parameters of the density matrix renormalization group (DMRG) algorithm, gives the lowest value of the variational energy, maximum entropy and truncation error. We consider the conjecture that the optimal layout is a Hamiltonian path, and that it optimizes a simply computable geometric cost function. Finding the minimum of such a function, which is a variant of the minimum linear arrangement problem, provides the DMRG with an efficient layout of the lattice and improves both accuracy and convergence time. We present applications to the antiferromagnetic and spin glass spin-1/2 models on the square and triangular lattices.


[155] 2601.13774

Entanglement entropy and disorder operator at kagome deconfined quantum criticality

We investigate the deconfined quantum critical point (DQCP) candidate in the extended hard-core Bose-Hubbard model on the kagome lattice, employing quantum Monte Carlo simulations to study the entanglement entropy and the $U(1)$ disorder operator. In stark contrast to findings in $J$-$Q$ models and other candidates, the universal logarithmic correction coefficients for both quantities are found to be {positive}, consistent with a unitary conformal field theory (CFT). Crucially, the current central charge $C_J$, extracted from the small-angle behavior of the disorder operator, is enhanced by a factor of approximately {4/3} compared to that of the conventional 3D $O(2)$ Wilson-Fisher fixed point. This enhancement {implies} a consistent explanation in the recently observed low-energy excitation spectrum at this DQCP, which features {two distinct linearly dispersing modes} with a velocity ratio of approximately three. Our results provide evidence that this quantum phase transition constitutes a genuine DQCP, characterized by coexisting fractionalized excitations that collectively modify its critical properties.


[156] 2601.13803

Influence of Ru content on electrocatalytic activity and defect formation of Au-Pd-Pt-Ru compositionally complex solid solution thin films

Compositionally complex solid solutions (CCSSs) consist of a randomly mixed single phase with the potential to enhance electrocatalytic activity through their polyelemental surface atom arrangements. However, microstructural complexity originating from multiple principal elements influences local structure, chemistry, and lattice strain, which might also affect electrocatalytic activity. Here, we investigate the effect of Ru content on electrochemistry and defect formation in Au-Pd-Pt-Ru CCSS thin films. Such defects could provide active sites when terminating at the CCSS surface or modify surface composition through preferential segregation. A thin-film material library covering a wide composition range was fabricated by room-temperature combinatorial co-sputtering. High-throughput compositional, structural and functional characterization, including electron microscopy equipped with energy dispersive X-ray spectroscopy, X-ray diffraction, and electrochemical screening, were used to correlate composition and microstructural features with catalytic activity. Three representative compositions selected from the library - Au68Pd13Pt15Ru4, Au27Pd24Pt23Ru26, and Au9Pd21Pt18Ru52 - were examined in detail. The three samples exhibit face-centered cubic structures, with lattice contraction occurring with increasing Ru content. In addition, with increasing Ru content, a transition from a high density of nanotwins to high-density, atomic-layer stacking faults was observed. Moreover, the hydrogen evolution reaction activity improves with higher Ru content. Atom probe tomography reveals local compositional fluctuations, including element-specific enrichment and depletion at grain boundaries. The findings provide a new insight into surface atom arrangement design in the CCSS electrocatalysts with enhanced performance.


[157] 2601.13811

Quantum simulation of general spin-1/2 Hamiltonians with parity-violating fermionic Gaussian states

We introduce equations of motion for a parity-violating fermionic mean-field theory (PV-FMFT): a numerically efficient fermionic mean-field theory based on parity-violating fermionic Gaussian states (PV-FGS). This work provides explicit equations of motion for studying the real- and imaginary-time evolution of spin-1/2 Hamiltonians with arbitrary geometries and interactions. We extend previous formulations of parity-preserving fermionic mean-field theory (PP-FMFT) by including fermionic displacement operators in the variational Ansatz. Unlike PP-FMFT, PV-FMFT can be applied to general spin-1/2 Hamiltonians, describe quenches from arbitrary initial spin-1/2 product states, and compute local and non-local observables in a straight-forward manner at the same modest computational cost as PP-FMFT -- scaling as $O(N^3)$ in the worst case for a system of $N$ spins or fermionic modes. We demonstrate that PV-FMFT can exactly capture the imaginary- and real-time dynamics of non-interacting spin-1/2 Hamiltonians. We then study the post quench-dynamics of the one- and two-dimensional Ising model in presence of longitudinal and transversal fields with PV-FMFT and compute the single site magnetization and correlation functions, and compare them against results from other state-of-the-art numerical approaches. In two-dimensional spin systems, we show that the employed spin-to-fermion mapping can break rotational symmetry within the PV-FMFT description, and we discuss the resulting consequences for the calculated correlation functions. Our work introduces PV-FMFT as a benchmark for other numerical techniques and quantum simulators, and it outlines both its capabilities and its limitations.


[158] 2601.13842

Nanoparticle Self-assembly Assisted by Polymers: The Role of Shear Stress in the Nanoparticle Arrangement of Langmuir and Langmuir-Blodgett Films

We propose to use the self-assembly ability of a block copolymer combined with compression-expansion cycles to obtain CdSe quantum dots (QDs) structures of different morphology. The methodology proposed consists in transferring onto mica mixed Langmuir monolayers of QDs and the polymer poly (styrene-co-maleic anhydride) partial 2 buthoxy ethyl ester cumene terminated, PS-MA-BEE, previously sheared by 50 compression-expansion cycles. Results indicate that the shear stress takes out nanoparticles at the air-water interface from metastable states and promoted a new equilibrium state of the Langmuir monolayer, then it was transferred onto mica by the Langmuir-Blodgett (LB) methodology and the morphology of the LB films was analyzed by Atomic Force Microscopy and Transmission Electron Microscopy measurements. Our results show that when the amplitude strain increases the QDs domain size decreases and the LB film becomes more ordered. The dynamic of the monolayer relaxation after cycling involves at least three timescales which are related to the damping of surface fluctuation, raft rearrangement and component movements inside each raft. Brewster Angle Microscopy allowed visualizing in situ the raft rearrangement at the air-water interface.


[159] 2601.13859

Confinement-Induced Floquet Engineering and Non-Abelian Geometric Phases in Driven Quantum Wire Qubits

This work theoretically demonstrates that a spin qubit in a parabolic quantum wire driven by a bichromatic field exhibits a confinement-tunable synthetic gauge field, leading to novel Floquet topological phenomena. The study presents the underlying mechanism for topological protection of qubit states against time-periodic perturbations. The analysis reveals a confinement-induced topological Landau-Zener transition, marked by a shift from preserved symmetries to chiral interference patterns in Landau-Zener-St$\ddot{u}$ckelberg-Majorana interferometry. Notably, the emergence of non-Abelian geometric phases under cyclic evolution in curved confinement and phase-parameter space is identified, enabling holonomic quantum computation. Additionally, the prediction of unconventional Floquet-Bloch oscillations in the quasi-energy and resonance transition probability spectra as a function of the biharmonic phase indicates exotic properties, including fractal spectra and fractional Floquet tunneling. These phenomena provide direct evidence of coherent transport in the synthetic dimension. Collectively, these findings position quantum wire materials has a versatile platform for Floquet engineering, topological quantum control, and fault-tolerant quantum information processing.


[160] 2601.13860

To infinity and back -- $1/N$ graph expansions of light-matter systems

We present a method for performing a full graph expansion for light-matter systems, utilizing the linked-cluster theorem. This method enables us to explore $1/N$ corrections to the thermodynamic limit $N\to \infty$ in the number of particles, giving us access to the mesoscopic regime. While this regime is yet largely unexplored due to the challenges of studying it with established approaches, it incorporates intriguing features, such as entanglement between light and matter that vanishes in the thermodynamic limit. As a representative application, we calculate physical quantities of the low-energy regime for the paradigmatic Dicke-Ising chain in the paramagnetic normal phase by accompanying the graph expansion with both exact diagonalization (NLCE) and perturbation theory (\pcst), benchmarking our approach against other techniques. We investigate the ground-state energy density and photon density, showing a smooth transition from the microscopic to the macroscopic regime up to the thermodynamic limit. Around the quantum critical point, we extract the $1/N$ corrections to the ground-state energy density to obtain the critical point and critical exponent using extrapolation techniques.


[161] 2601.13862

Unraveling the Mechanisms of Ultrasound-Induced Mechanical Degradation of Microgels: Effects of Mechanoresponsive Crosslinks, Softness, and Core-Shell Architecture

Ultrasound-induced degradation of soft polymeric colloids, like microgels, as well as a controlled drug release enabled by mechanoresponsive bonds, has recently attracted considerable attention. However, most examples in the literature focus primarily on the applications rather than examining the underlying mechanisms of the structural changes occurring in microgels due to cavitation - changes that are crucial for developing effective drug delivery systems. In this work, we provide a comprehensive view on how microgel structure governs the susceptibility to rupture and mass loss upon cavitation, investigating both conventional microgels containing mechanoresponsive disulfide bonds and more complex asymmetrically crosslinked core-shell microgels. By combining dynamic and static light scattering, small-angle X-ray scattering, and atomic force microscopy, we demonstrate that an interplay between mechanoresponsive crosslinks and the swelling degree determines the microgels susceptibility to ultrasound-induced damage. Our findings indicate that local stress from cavitation bubbles varies strongly within the microgel dispersion. The majority of microgels undergo gradual erosion at their periphery, resulting in smaller yet structurally intact particles over time, observable by light scattering and AFM. In contrast, microgels closer to a cavitation bubble can experience partial rupture or completely disintegrate, producing smaller, more polydisperse fragments, which contributes substantially to the overall mass loss observed. In the core-shell microgels with different crosslinkers in the core and shell, degradation occurs nearly uniformly across both regions, instead of selectively targeting the weaker part. These observations highlight the complexity of the degradation dynamics as well as the similarity to processes seen in linear polymers and bulk hydrogels.


[162] 2601.13890

Correlation-driven branch in doped excitonic insulators

We investigate the spectral properties of a doped one-dimensional excitonic insulator. Employing matrix-product-state-based methods, we compute the single-particle spectrum and optical conductivity in a correlated two-band model. Our numerical calculation reveals the emergence of a correlation-driven in-gap branch in the doped state. The origin of the in-gap branch is examined by decomposing the propagation dynamics of a single particle, elucidating that the doping-induced branch is associated with excitonic correlations. Our demonstrations suggest that the doping-induced branch can serve as an indicator of electron-hole correlations.


[163] 2601.13898

Janus MoSSe/WSSe Heterobilayers as Selective Photocatalysts for Water Splitting

Identifying materials that simultaneously straddle the water redox potentials and possess an intrinsic electric field is crucial for achieving high solar-to-hydrogen (STH) efficiency. Using state-of-the-art first-principles calculations, including a range-separated hybrid functional and spin-orbit coupling, we investigate MoXY/WXY (X, Y = S, Se) Janus bilayers for overall water splitting. We find that the Se-Se interfaced heterobilayer is intrinsically capable of driving water splitting, while its S-S counterpart can meet the redox requirements through pH modulation. For both configurations, a remarkable STH efficiency of 17.1\% is predicted. Compared with homo-bilayers, hetero-bilayers benefit from the chemical potential difference between Mo and W, which generates a built-in electric field and promotes spatial separation of photogenerated carriers, suppressing recombination and overall enhancing hydrogen production. These results demonstrate the promise of Janus heterobilayers for efficient solar-driven water splitting.


[164] 2601.13902

Determinants of Self-Interstitial Energetics in Refractory High-Entropy Alloys

Self-interstitials play a central role in governing the mechanical and anti-irradiation properties of refractory high-entropy alloys (RHEAs), however, the prediction of interstitial formation energies (Ef) is formidable due to the chemically complex environments in RHEAs. Herein, we develop a framework based on the tight-binding model to quantify the effects of complex alloying and lattice distortion on Ef. Our scheme reveals that Ef is jointly determined by the average d-band center of RHEAs and the d-band width of interstitial sites. Notably, the d-band width mainly depends on the interatomic hopping matrix and atomic size-determined coordination number, which together make the metallic bonding around interstitials in RHEAs resemble the distance-dependence law of van der Waals forces. By capturing d-band coupling character, our descriptor describes both interstitial configurations within a universal framework. Our model reveals a new physical picture of interstitial formation, providing a useful tool for the design of high-performance RHEAs.


[165] 2601.13928

Alternative $ν+ν$-picture of bosonic fractional Chern insulators at high filling factors in multiple flat-band systems

Most fractional quantum Hall states have been traditionally identified within a single energy band, such as the lowest Landau level or topological flat band. As more particles are introduced, they inevitably populate higher energy bands. Whether the inclusion of multiple topological bands leads to new physics remains an open question. Here, we propose a universal picture applicable at higher filling factors $\nu \geq 1$ in bosonic systems: the occupied bands tend to coalesce into an effective single topological band characterized by a total Chern number $\vert C\vert$, the sum of the Chern number of all occupied lower topological flat bands. Using a Kekulé lattice model with two lower flat bands featuring a total Chern number $C=1$, regardless of their specific configurations, we identify the emergence of a $\frac{1}{2}$ fractional Chern insulator (FCI) state at integer filling factor $\nu=1$, followed by the Jain sequence states $\frac{2}{3}$ and $\frac{3}{4}$ at filling $\nu=\frac{4}{3}$ and $\frac{6}{4}$. That is a $\nu+\nu$ picture, rather than the generally expected $1+\nu^{\prime}$ picture, where $\nu^{\prime}$ is the permitted FCI filling factor in the single second topological flat band. Our findings deepen the understanding of FCI states and open avenues for discovering exotic fractional topological phases in multiband systems.


[166] 2601.13960

Dynamic Multiband Microscopy: A Universal Paradigm for Quantitative Nanoscale Metrology

Scanning Probe Microscopy (SPM) is the primary tool for exploring nanoscale functionality, yet standard single-frequency operation is fundamentally limited, because the dynamic tip-sample interaction is mathematically underdetermined. While advanced methods such as Dual Amplitude Resonance Tracking (DART) and Band Excitation (BE) address this by tracking resonance, they face critical limitations: DART suffers from feedback instability on complex topographies, while Band Excitation is constrained by severe trade-offs between spectral resolution and acquisition speed. Here, we introduce Dynamic Multiband Microscopy (DMM), a general framework that bridges these gaps by combining multifrequency excitation with continuous frequency sweeping. We implement this within an automated experimental workflow that autonomously identifies and targets measurement points of interest. In combination with quantitative interferometric detection, this approach brings SPM to the fundamental limits of noise and spectral sensitivity. Validated on ferroelectric nanofibers, this platform enables simultaneous, crosstalk-free 3D polarization mapping, establishing a universal framework for autonomous, high-fidelity nanoscale metrology.


[167] 2601.13963

Direct probing the quantum geometric tensor for bosonic collective excitations

The quantum geometric tensor (QGT), whose real and imaginary parts define the quantum metric and Berry curvature, encodes the intrinsic geometry of quantum states. While electronic QGT has been directly observed and linked to various phenomena like electron-phonon coupling, its bosonic analogue remains both theoretically and experimentally unexplored. We demonstrate that the dynamical structure factor directly encodes the full QGT throughout the Brillouin zone, establishing it as a sensitive probe of both quantum metric and Berry curvature. Applying this framework, we uncover clear geometric signatures in a twofold quadruple Weyl phonon in BaPtGe and the node-line magnon in Gd. Our results establish a general, direct route to measuring quantum geometry in bosonic systems, a crucial step toward elucidating its impact on condensed matter phenomena.


[168] 2601.13965

Grain-Growth Stagnation from Vacancy-Diffusion-Limited Disconnection Climb

Grain growth in polycrystals typically stagnates at long times. We identify disconnection climb, limited by vacancy diffusion, as a fundamental microscopic mechanism underlying this behavior. Using a phase-field crystal framework extended to model vacancy diffusion, we resolve grain-boundary migration on diffusive time scales and show that disconnection climb rates correlate with the characteristic grain size at which growth arrests. These results link vacancy transport, disconnection dynamics, and microstructural evolution, establishing vacancy diffusion as a key governing factor.


[169] 2601.13968

Influence of intraspecies interactions on the diversity of the wetting phase diagram in dilute ternary Bose-Einstein condensates

We investigate the influence of intraspecies interactions on the structure and diversity of the wetting phase diagram in a dilute ternary Bose-Einstein condensates. Within the GP formalism, we employ the double-parabola approximation to describe the interfacial properties of the system in the limit of strong segregation between two of the components. Our analysis focuses on the static behavior near degenerate points where distinct phase boundaries intersect in the parameter space defined by the healing-length ratios. We demonstrate that the first-order and critical wetting transition lines, along with the nucleation line intersect at a unique degenerate point. This finding contrasts with previous studies in the interspecies interaction space, where two degenerate points were observed. These results provide new insights into the interfacial phase behavior of multicomponent quantum gases and offer theoretical guidance for experimental explorations of wetting phenomena in ultracold atomic systems.


[170] 2601.13982

Correlated domain and crystallographic orientation mapping in uniaxial ferroelectric polycrystals by interferometric vector piezoresponse force microscopy

Ongoing advances in scanning probe microscopy techniques are continually expanding the possibilities for nanoscale characterization and correlated studies of functional materials. Here, we demonstrate how a recent extension of piezoresponse force microscopy (PFM), known as interferometric vector PFM, can be utilized for simultaneously mapping the local crystallographic orientations and the domain structure of distributed grains in uniaxial ferroelectric polycrystals. By shifting the laser beam position on the cantilever, direction-dependent piezoresponse signals are acquired analogous to classical vector PFM, but without the need to rotate the sample. Using polycrystalline ErMnO$_{3}$ as a model system, we demonstrate that the reconstructed piezoresponse vectors correlate one-to-one with the crystallographic orientations of the micrometer-sized grains, carrying grain-orientation and domain-related information. We establish a versatile approach for rapid, multimodal characterization of polycrystalline uniaxial ferroelectrics, enabling automated, high-throughput reconstruction of polarization and grain orientations with nanoscale precision.


[171] 2601.13985

Component systems: do null models explain everything?

Component systems - ensembles of realizations built from a shared repertoire of modular parts - are ubiquitous in biological, ecological, technological, and socio-cultural domains. From genomes to texts, cities, and software, these systems exhibit statistical regularities that often meet the "bona fide" requirements of laws in the physical sciences. Here, we argue that the generality and simplicity of those laws are often due to basic combinatorial or sampling constraints, raising the question of whether such patterns are actually revealing system-specific mechanisms and how we might move beyond them. To this end, we first present a unifying mathematical framework, which allows us to compare modular systems in different fields and highlights the common "null" trends as well as the system-specific uniqueness, which, arguably, are signatures of the underlying generative dynamics. Next, we can exploit the framework with statistical mechanics and modern machine-learning tools for a twofold objective. (i) Explaining why the general regularities emerge, highlighting the constraints between them and the general principles at their origins, and (ii) "subtracting" them from data, which will isolate the informative features for inferring hidden system-specific generative processes, mechanistic and causal aspects.


[172] 2601.14003

Interlayer charge transfer from contact electrification in conducting micro and nanoscale thin film heterostructures

Contact electrification give rise to charge accumulation at the interface when two materials are brought into contact with each other. The charge accumulation at the interface will diffuse to the interior of the conducting material if the dimensions of the contacting conducting material is of the order of an unknown critical length scale. This contact electrification induced interlayer charge transfer will modify the fundamental physical properties of both the contacting materials. This review first discusses the reported experimental evidence of flexoelectricity induced contact electrification and interlayer charge transfer in conducting thin film based heterostructures. The interlayer charge transfer creates a gradient of charge carrier in both the thin films constituting the heterostructure and also modifies the electron-electron interactions. Further, the interlayer charge transfer changes the electron-phonon coupling, spin-phonon coupling and magnetoelectronic coupling that give rise to new physical behavior, which did not exist prior to the interlayer charge transfer. The new physical behaviors from interlayer charge transfer and their mechanistic origins are reanalyzed and discussed, which include spin-Hall effect of charge carriers, topological Hall effect of magnetoelectronic electromagnon, inhomogeneous magnetoelectronic multiferroic effect, flexoelectronic proximity effect and topological spin texture. This review article presents a unified picture of current status and future directions that will provide the scientists a stepping stone for research in the field of flexoelectricity mediated contact electrification and interlayer charge transfer mediated behavior in the micro/nanoscale heterostructures of the conducting materials.


[173] 2601.14014

Layer-engineered quantum anomalous Hall effect in twisted rhombohedral graphene family

The quantum anomalous Hall (QAH) insulator is uniquely characterized by the topological Chern number C. Controlling the Chern number is a key step toward functional topological electronics and enables access to exotic quantum phases beyond the traditional quantum Hall physics. Here, we report a series of QAH insulators in twisted rhombohedral graphene family, in which the Chern number can be tuned through layer configuration, in-situ electrostatic doping, and displacement field. Specifically, in twisted monolayer-rhombohedral N-layer graphene, denoted as (1+N) L, we observe QAH states with C=N at moire filling v=1, where N=3,4,5 represents the layer number of rhombohedral graphene. These results are experimentally confirmed by quantized Hall resistance and the Streda formula. In twisted monolayer-trilayer graphene, we also observe states with |C|=3 at v=3, whose sign can be switched by either electrostatic doping or displacement field. Furthermore, in twisted Bernal bilayer-rhombohedral tetralayer graphene denoted as (2+4) L, we demonstrate a displacement-field-driven topological phase transition between two distinct QAH states with C=3 and C=4 at v=1. Our work establishes twisted rhombohedral graphene as a highly versatile, layer-engineered platform for designing and dynamically controlling high-Chern-number topological matters.


[174] 2601.14025

Universal Coarsening and Giant-Cluster Formation in Growing Interfaces

Clusters formed by fluctuations of two-dimensional (2D) directed interfaces around a threshold level have been extensively studied at equilibrium and in nonequilibrium steady states, but their coarsening dynamics remain poorly understood. Here, we numerically investigate this unexplored coarsening of clusters in 2D growing interfaces believed to belong to the Kardar-Parisi-Zhang universality class. Using a two-point spatial correlator, we demonstrate statistical time invariance of the evolving configurations and identify scaling forms shared across distinct models. We reveal a pronounced asymmetry in the growth of the largest clusters: one cluster emerges as a giant structure whose characteristic length exceeds the correlation length. Population-dependent scaling forms for the number densities of cluster areas are uncovered. These findings highlight new universal aspects of growing interfaces and suggest avenues for experimental verification.


[175] 2601.14035

Binding Energies of Charged Particles on Dielectric Surfaces in Liquid Nitrogen

A new approach for determining the binding energies of charged particles, such as ions and electrons, on dielectric surfaces in cryogenic liquids is introduced. The experimental technique outlined in this paper is employed to observe the buildup of charged particles on nonconductive surfaces using the electro-optic Kerr effect. The initial results of binding energy measurements on surfaces of deuterated tetraphenyl butadiene (dTPB)-coated and uncoated polymethyl methacrylate (PMMA) in liquid nitrogen are presented. Under these conditions, the ions or electrons displayed binding energies of less than 1 meV. Although these findings were obtained in liquid nitrogen, the methodology is not limited to cryogenic liquids and is applicable to a wide variety of fluids, with no essential dependence on temperature.


[176] 2601.14072

Superconductor-insulator transitions in infinite-layer nickelates controlled via ${operando}$ monitored reduction

Nickelates represent an emerging class of superconductors that demand innovative approaches for structural and electronic phase modulations. Continuous control over superconductor-insulator transition (SIT) in nickelates remains particularly challenging, hindering both fundamental understanding and potential applications. Here, we demonstrate SIT in infinite-layer nickelate superconductors utilizing multiple techniques, including an ${operando}$ monitored reduction (OMR) method. OMR enables ultrawide-range continuous modulation of the Ni 3${d}$ orbital electron occupancy from ~3${d}^7$ to ~3${d}^9$. The 3${d}$ occupancy is calibrated through systematic synchrotron X-ray absorption (XAS), combined with scanning transmission electron microscopy (STEM) annular bright field (ABF) analysis of oxygen atoms. SIT is further modulated via ionic liquid gating and magnetic field. Strikingly different from cuprates, our Nernst effect measurements show that pairing initiates at the onset of the resistive drop. The subsequent emergence of the Meissner effect at zero resistance marks the establishment of global phase coherence. Angle-dependent magnetotransport within the transition temperature regime indicates a mixture of two-dimensional (2D) and three-dimensional (3D) superconducting characters, suggesting the observed SIT deviates from the canonical 2D model. Our results provide a unique perspective on the interplay of structural and electronic phase transitions in the infinite-layer nickelates across the oxygen content-magnetic field-temperature parameter space.


[177] 2601.14082

Onset of stripe order in classical fluids: Lessons from lattice-gas mixtures

When two molecular species with mutual affinity are mixed together, various self-assembled phases can arise at low temperature, depending on the shape of like and unlike interactions. Among them, stripes -- where layers of one type are regularly alternated with layers of another type -- hold a prominent place in materials science, occurring e.g. in the structure of superconductive doped antiferromagnets. Stripe patterns are relevant for the design of functional materials, with applications in optoelectronics, sensing, and biomedicine. In a purely classical setting, an open question pertains to the features that spherically-symmetric particle interactions must have to foster stripe order. Here we address this challenge for a lattice-gas mixture of two particle species, whose equilibrium properties are exactly determined by Monte Carlo simulations with Wang-Landau sampling, in both planar and spherical geometry, and for equal chemical potentials of the species. Somewhat surprisingly, stripes can emerge from largely different off-core interactions, featuring various combinations of repulsive like interactions with a predominantly attractive unlike interaction. In addition to stripes, our survey also unveils crystals and crystal-like structures, cluster crystals, and networks, which considerably broaden the catalog of possible patterns. Overall, our study demonstrates that stripes are more widespread than generally thought, as they can be generated by several distinct mechanisms, thereby explaining why stripe patterns are observed in systems as diverse as cuprate materials, biomaterials, and nanoparticle films.


[178] 2601.14100

Nonlinear optical response as a probe of emergent Lorentz symmetry violation in noncentrosymmetric materials

We propose an electrically controlled protocol to detect weak Lorentz-violating (LV) backgrounds through the second-order shift photocurrent in noncentrosymmetric crystals. Using a spinful Rice--Mele model, we show that a stationary LV background induces a momentum-odd correction to the Bloch Hamiltonian, which generates an odd-in-field contribution to the shift current. This leads to a directional asymmetry, whereby the photocurrent distinguishes opposite orientations of an applied static field. The effect originates from an LV-induced deformation of the interband phase and can be isolated experimentally by comparing field-reversed configurations, with vanishing response at transverse orientations, providing an internal consistency check. Our results demonstrate that nonlinear optical responses offer a practical and symmetry-selective route for probing LV effects in solid-state systems.


[179] 2601.14110

Adsorption-Driven Symmetry Lowering in Single Molecules Revealed by Ångstrom-scale Tip-Enhanced Raman Imaging

The vibrational landscape of adsorbed molecules is central to understanding surface interactions at the atomic scale, influencing phenomena from catalysis to molecular electronics. Recent advances in atomic-scale tip-enhanced Raman spectroscopy (TERS) have enabled vibrational mapping of single molecules with sub-nanometer spatial resolution, providing unprecedented insights into molecule-surface interactions by confining light in plasmonic picocavities. Here, we exploit TERS in a cryogenic scanning tunneling microscope junction to perform Raman hyperspectral mapping of single iron phthalocyanine (FePc) molecules in three non-equivalent adsorption configurations on Ag surfaces. We explore the changes in the vibrational modes of FePc molecules adsorbed on two distinct silver crystal terminations with differing symmetry, Ag(111) and Ag(110), revealing how subtle variations in the adsorption geometry due to substrate anisotropy can strongly influence molecular vibrations, lifting the degeneracy of individual normal modes. Our findings not only demonstrate the first use of sub-nanometer TERS mapping across different symmetry configurations but also provide a deeper understanding of how site-specific vibrational properties are intimately linked to local atomic environments. This capability paves the way for precisely tailoring surface interactions and controlling chemical reactions at the atomic scale.


[180] 2601.14119

The $O(n\to\infty)$ Rotor Model and the Quantum Spherical Model on Graphs

We show that the large $n$ limit of the $O(n)$ quantum rotor model defined on a general graph has the same critical behavior as the corresponding quantum spherical model and that the critical exponents depend solely on the spectral dimension $d_s$ of the graph. To this end, we employ a classical to quantum mapping and use known results for the large $n$ limit of the classical $O(n)$ model on graphs. Away from the critical point, we discuss the interplay between the Laplacian and the Adjacency matrix in the whole parameter plane of the quantum Hamiltonian. These results allow us to paint the full picture of the $O(n)$ quantum rotor model on graphs in the large $n$ limit.


[181] 2601.14143

Gilbert Damping Parameters of Epitaxially-Stabilized Iron Gallium Thin Films from Ferromagnetic Resonance

Iron gallium (FeGa) alloys are excellent rare-earth-free magnetostrictors. Through epitaxial stabilization, the disordered A2 alloy can be extended from 19% to 30% gallium resulting in a magnetostrictive coefficient almost twice than that which is seen in rare earth magnetostrictors like SmFe2. In a composite magnetoelectric structure, this makes epitaxially-stabilized iron gallium a key material for energy-efficient beyond CMOS technologies. The energy dissipation and speed of magnetoelectric switching, however, is affected by the magnetic resonance frequency and damping. Here we report the evolution of the ferromagnetic resonance and key materials parameters (magnetic anisotropy, magnetic damping, and magnetostriction coefficient) for 70 nm thick epitaxially-stabilized single crystal A2 FeGa films beyond 19% Ga. Using flip chip ferromagnetic resonance (1-14 GHz), we find that the Gilbert damping parameter spans the range of 0.09-0.16 and decreases as the Ga concentration increases. This correlates an increasing magnetoelastic coupling with a reduction in the Gilbert damping. We find that the effective damping is a mix of contributions from the intrinsic magnon-phonon scattering and other scattering/dissipation mechanisms, with the latter being dominant especially at high Ga composition. Our results provide insight into the mechanism of magnetic relaxation in metastable high magnetostriction materials and potential switching behavior of composite magnetoelectrics.


[182] 2601.14144

Efficient charge transfer in solution-processed PbS Quantum Dot-reduced graphene oxide hybrid materials

Quantum dot - graphene hybrid materials have raised significant interest due to the unique synergy of the optical properties of colloidal quantum dots (QDs) and the transport properties of graphene. This stimulated the development of low-cost and up-scalable solution-processed strategies for hybrid materials with potential application in light harvesting and opto-electronic devices. Here we report a versatile covalent-linking based approach for the functionalization of reduced graphene oxide (rGO), to prepare a variety of QD-rGO hybrid dispersions with QDs of different size and composition (PbS, PbS/CdS and CdSe QDs), and shape (CdSe/CdS dot-in-rods). We achieved a well-controlled QD coverage of the rGO sheets by functionalizing the rGO surface with mercapto-silane linkers. A further spectroscopic investigation of near-infrared PbS QD-rGO materials demonstrates efficient electronic coupling between both materials. The QD photoluminescence emission quenching and exciton lifetime shortening up to 95%, together with subtle graphene Raman G-band shifts upon QD linking, supports electron transfer as the dominant relaxation pathway from the QD to the rGO. The use of core/shell PbS/CdS QDs allows tuning of the transfer efficiency from 94% for a 0.2 nm thin CdS shell, down to 30% for a 1.1 nm thick shell.


[183] 2601.14155

Resolving Overlapping EBSD Patterns by Experiment -- Simulation Residuals Analysis

In the technique of Electron Backscatter Diffraction (EBSD), the accurate detection and identification of different phases existing in a sample is often limited by overlapping Kikuchi diffraction patterns originating from the extended probing volume of the individual EBSD map points measured in the scanning electron microscope (SEM). We present an iterative approach that uses simulated Kikuchi patterns to resolve several overlapping diffraction signals. For each measured EBSD pattern, our method first identifies the best-fit simulated Kikuchi pattern using dynamic template matching. This simulated, ideal reference pattern is then further processed to optimally match the experimental image, uncovering any underlying weaker signals after subtraction. Repeatedly utilizing dynamic template matching and pattern subtraction on residual signals of subsequent steps enables the identification of minor phases that might otherwise be missed from the probing volume of the EBSD map point. This method significantly improves phase detection in complex materials, addressing a key limitation of conventional EBSD analysis that conventionally assigns a single phase to each map point. The present method does not require a known orientation relationship between the phases of the overlapping patterns or close neighbor experimental patterns like previously published approaches.


[184] 2601.14162

Coupling Quantum Dots to Elastic Waves in a Phononic Crystal Waveguide

We present a comprehensive study of quantum dot (QD) coupling to various phononic modes in a phononic waveguide, combining multiband kp and configuration-interaction (CI) QD state simulations with finite-element waveguide mode modeling. We consider self-assembled Stranski-Krastanov InGaAs/GaAs as well as local droplet-etched GaAs/AlGaAs structures. Using kp-CI calculations, we quantify the strain and piezoelectric responses of InAs and GaAs QDs. By systematically isolating volumetric/shear deformation-potential and piezoelectric channels, we demonstrate how mode symmetries dictate distinct coupling mechanisms. We identify the dominant coupling channels and characterize their observable signatures in the QD response. We predict strong linear energy shifts under volumetric strain and quadratic behavior under shear strain, especially in GaAs QDs. The piezoelectric effect is dominated by polarizability, which also leads to a quadratic response. The simulations show energy modulations up to 0.7 meV for an acoustic wave with 0.1 nm amplitude. The quadratic response to shear strain and piezoelectric field leads to frequency doubling in the QD response to a mechanical wave and to non-harmonic time traces when linear and quadratic effects contribute to a similar degree. The deep understanding of QD-acoustic couplings opens pathways to the optimal design of QD and waveguide structures, as well as to improved engineering of acousto-optic quantum interfaces.


[185] 2601.14181

Faster grain-boundary diffusion with a higher activation enthalpy than bulk diffusion in ionic space-charge layers

Faster diffusion of cations along grain boundaries is reported in the literature for a variety of acceptor-doped $AB\mathrm{O}_{3}$ perovskite-type oxides. The ratio $r$ of the activation enthalpy of grain-boundary diffusion ($\Delta H^\mathrm{gb}$) to the activation enthalpy of bulk diffusion ($\Delta H^\mathrm{b}$) is seen experimentally to lie in the range $0.7 < r = \Delta H^\mathrm{gb} / \Delta H^\mathrm{b} < 1.3$, albeit with substantial errors. In a previous publication [Parras and De Souza, Acta Mater. 195 (2020) 383] it was shown through a set of continuum simulations that cation-vacancy accumulation within negative space-charge layers at grain boundaries in acceptor-doped perovskites will give rise to faster grain-boundary diffusion of cations, with the associated values of $r$ approaching but not exceeding unity. In the present study, we demonstrate by means of continuum simulations that under certain conditions $r > 1$ is achievable for faster cation diffusion along grain boundaries in an acceptor-doped perovskite ceramic. Diffusion profiles for a two-dimensional bicrystal geometry are obtained by solving, first, Poisson's equation, and subsequently, the diffusion equation. The specific case we consider is cation migration occurring by two related mechanisms, by isolated cation vacancies and by defect associates of cation and anion vacancies; the electric potential within the space-charge layers shifts the association equilibrium so that associate diffusion dominates in the bulk whereas isolated vacancy diffusion dominates within the space-charge layers. The conditions under which $r > 1$ is observed are described, and issues with experimental confirmation are discussed.


[186] 2601.14184

Sparse Statistical Modeling in Condensed Matter Physics

In this work we explore the possibility of using sparse statistical modeling in condensed matter physics. The procedure is employed to two well known problems: elemental superconductors and heavy fermions, and was shown that in most cases performs better than other AI methods, such as machine or deep learning. More importantly, sparse modeling has two major advantages over other methods: the ability to deal with small data sets and in particular its interpretabilty. Namely, sparse modeling can provide insight into the calculation process and allow the users to give physical interpretation of their results. We argue that many other problems in condensed matter physics would benefit from these properties of sparse statistical modeling.


[187] 2601.14200

Altermagnetic phases and phase transitions in Lieb-$5$ Hubbard model

The emergence of altermagnetism, the collinear magnetic phase characterized by momentum-dependent spin-split bands but zero net magnetization, has fundamentally reshaped the classification of magnetic order. We propose an altermagnetic (AM) order in a repulsive Hubbard model on the Lieb-$5$ lattice. Considering only nearest-neighbor hoppings within the lattice, we show a phase transition from the nonmagnetic to a unique AM isolated band metal phase (AMIM), allowing clear identification of spin-split states. Additionally, the AM metallic phase (AMM) is also shown to appear as an intermediate phase during the transition from the normal metal to the AMIM in the presence of the diagonal hopping within each unit cell of the Lieb-$5$ lattice. The manifestation of distinct AM phases and the phase transitions, driven by Hubbard interaction and hopping integrals, have been explored in terms of spin-resolved band structure, spectral function, and the behavior of the AM order parameter. The stability of these AM phases against the spin-orbit coupling and temperature is also established.


[188] 2601.14217

Many-body Euler topology

Integer and fractional Chern insulators exhibit a nonzero quantized anomalous Hall conductivity due to a spontaneous breaking of time reversal symmetry. To identify nontrivial topology in their time-reversal symmetric many-body spectra, we introduce many-body Euler numbers as a counterpart to many-body Chern numbers. Exemplarily, we perform calculations in a topological Hubbard model that can realize Chern and fractional Chern insulating phases. Furthermore, we lay out a classification scheme to realize different topological phases in interacting systems using symmetry indicators in analogy to topological band theory.


[189] 2512.20215

Tree tensor network states represent low-energy states faithfully

Extending corresponding results for matrix product states [Verstraete and Cirac, PRB 73, 094423 (2006); Schuch et al. PRL 100, 030504 (2008)], it is shown how the approximation error of tree tensor network states (TTNS) can be bounded using Schmidt spectra or Rényi entanglement entropies of the target quantum state. Conversely, one obtains bounds on TTNS bond dimensions needed to achieve a specific approximation accuracy. For tree lattices, the result implies that efficient TTNS approximations exist if $\alpha<1$ Rényi entanglement entropies for single-branch cuts obey an area law, as in ground and low-energy states of certain gapped systems.


[190] 2512.25038

Anomalous (3+1)d Fermionic Topological Quantum Field Theories via Symmetry Extension

Discrete finite-group global symmetries may suffer from nonperturbative 't-Hooft anomalies. Such global anomalies can be canceled by anomalous symmetry-preserving topological quantum field theories (TQFTs), which contain no local point operators but only extended excitations such as line and surface operators. In this work, we study mixed gauge-gravitational nonperturbative global anomalies of Weyl fermions (or Weyl semimetals in condensed matter) charged under discrete Abelian internal symmetries in four-dimensional spacetime, with spacetime-internal fermionic symmetry $G=$Spin$\times_{\mathbb{Z}_2^{\rm F}}\mathbb{Z}_{2m}^{\rm F}$ or Spin$\times\mathbb{Z}_n$ that contains fermion parity $\mathbb{Z}_{2}^{\rm F}$. We determine the minimal finite gauge group $K$ of anomalous $G$-symmetric TQFTs that can match the fermionic anomaly via the symmetry-extension construction $1 \to K \to G_{\rm Tot} \to G \to 1$, where the anomaly in $G$ is trivialized upon pullback to $G_{\rm Tot}$, computed by Atiyah-Patodi-Singer eta invariant. This allows one to replace a $G$-symmetric four-dimensional Weyl fermion by an anomalous $G$-symmetric discrete-$K$-gauge TQFT as an alternative low-energy theory in the same deformation class. As an application, we show that the four-dimensional Standard Model with 15 Weyl fermions per family, in the absence of a sterile right-handed neutrino $\nu_R$, exhibits mixed gauge-gravitational global anomalies between baryon and lepton number symmetries $({\bf B \pm L})$ and spacetime diffeomorphisms. We identify the corresponding minimal $K$-gauge fermionic TQFT that cancels these anomalies and can be interpreted as a gapped, topologically ordered dark sector replacing missing Weyl fermions via symmetry extension, without invoking conventional Anderson-Higgs symmetry breaking.


[191] 2601.11593

The physics of cranberry bogs

The common New England sight of a cranberry bog presents a rich tapestry of fluid dynamics and soft matter phenomena. Here, we present four connected problems exploring the behavior of cranberries in their stages of harvest: the buoyant rise of a cranberry in a flooded bog, the stable floating configuration of a cranberry on the surface, the aggregation and interaction between many floating cranberries collected with a boom, and the piling of cranberries onto a truck for transportation. We model these phenomena from first principles and develop simple computational simulations of their collective behaviors. Additionally, we describe tabletop experiments to accompany these problems, either as in-class demonstrations or lab activities. Throughout, we draw connections to broader physical principles in soft condensed matter and fluids, allowing the real-world example of the cranberry bog to serve as a bridge between the undergraduate curriculum and topics in soft matter research.


[192] 2601.11661

Machine learning model for predicting surface wettability in laser-textured metal alloys

Surface wettability, governed by both topography and chemistry, plays a critical role in applications such as heat transfer, lubrication, microfluidics, and surface coatings. In this study, we present a machine learning (ML) framework capable of accurately predicting the wettability of laser-textured metal alloys using experimentally derived morphological and chemical features. Superhydrophilic and superhydrophobic surfaces were fabricated on AA6061 and AISI 4130 alloys via nanosecond laser texturing followed by chemical immersion treatments. Surface morphology was quantified using the Laws texture energy method and profilometry, while surface chemistry was characterized through X-ray photoelectron spectroscopy (XPS), extracting features such as functional group polarity, molecular volume, and peak area fraction. These features were used to train an ensemble neural network model incorporating residual connections, batch normalization, and dropout regularization. The model achieved high predictive accuracy (R2 = 0.942, RMSE = 13.896), outperforming previous approaches. Feature importance analysis revealed that surface chemistry had the strongest influence on contact angle prediction, with topographical features also contributing significantly. This work demonstrates the potential of artificial intelligence to model and predict wetting behavior by capturing the complex interplay of surface characteristics, offering a data-driven pathway for designing tailored functional surfaces.


[193] 2601.11714

Experimental observation of dynamical blockade between transmon qubits via ZZ interaction engineering

We report the experimental realization of strong longitudinal (ZZ) coupling between two superconducting transmon qubits achieved solely through capacitive engineering. By systematically varying the qubit frequency detuning, we measure cross-Kerr inter-qubit interaction strengths ranging from 10 MHz up to 350 MHz, more than an order of magnitude larger than previously observed in similar capacitively coupled systems. In this configuration, the qubits enter a strong-interaction regime in which the excitation of one qubit inhibits that of its neighbor, demonstrating a dynamical blockade mediated entirely by the engineered ZZ coupling. Circuit quantization simulations accurately reproduce the experimental results, while perturbative models confirm the theoretical origin of the energy shift as a hybridization between the computational states and higher-excitation manifolds. We establish a robust and scalable method to access interaction-dominated physics in superconducting circuits, providing a pathway towards solid-state implementations of globally controlled quantum architectures and cooperative many-body dynamics.


[194] 2601.11806

Generalized Shiraishi--Mori construction is exhaustive for ferromagnetic quantum many-body scars

Quantum many-body scars (QMBS) constitute a subtle violation of ergodicity through a set of non-thermal eigenstates, referred to as scar states, which are embedded in an otherwise thermal spectrum. In a broad class of known examples, these scar states admit a simple interpretation: they are magnon excitations of fixed momentum on top of a ferromagnetic background. In this paper we prove that any Hamiltonian hosting such ``ferromagnetic scar states'' necessarily admits a structural decomposition into a Zeeman term and an ``annihilator'' that annihilates the entire scar manifold. Moreover, we show that this annihilator must itself decompose into a sum of terms built from local projectors that locally annihilate the scar states. This architecture is closely related to the Shiraishi--Mori construction, and our main theorem establishes that an appropriate generalization of that construction is in fact essentially exhaustive for this class of scar states.


[195] 2601.12071

Temperature effect on a kicked Tonks-Girardeau gas

It is widely recognized that finite temperatures degrade quantum coherence and can induce thermalization. Here, we study the effect of finite temperature on a kicked Tonks--Girardeau gas, which is known to exhibit many--body dynamical localization and delocalization under periodic and quasiperiodic kicks, respectively. We find that many--body dynamical localization persists at finite--and even high--temperatures, although the coherence of the localized state is further degraded. In particular, we demonstrate a modified effective thermalization of the localized state by considering the initial temperature. Moreover, we show many--body dynamical localization transition at intermediate temperature. Our work extends the study of many--body dynamical localization and delocalization to the finite--temperature regime, providing comprehensive guidance for cold--atom experiments.


[196] 2601.12098

Efficient O(N^1.5) Electronic Structure Computation of Million-Atom Systems

The exploration of quantum phenomena in complex materials such as moiré superlattices is limited by the O(N^3) scaling of conventional electronic structure methods. Here we introduce a high-performance tight-binding framework that reduces the complexity to O(N^1.5) by transforming the Hamiltonian into a real symmetric form and combining Sylvester's inertia law with LDL decomposition. This approach enables efficient band structure calculations for large systems: solving magic angle twisted bilayer graphene in minutes on a laptop and scaling to 1.5 million atoms within days on a workstation. We apply it to the previously inaccessible ultra-low twist-angle regime (less than 0.16 degree) with mechanical strain relaxation and find robust flat bands persisting down to 0.09 degree. Our framework bridges density functional theory accuracy with large-scale quantum simulation, opening a route to systematic data-driven exploration of mesoscale quantum materials.


[197] 2601.12165

Fractional Quantum Hall States: Infinite Matrix Product Representation and its Implications

We present a novel matrix product representation of the Laughlin and related fractional quantum Hall wavefunctions based on a rigorous version of the correlators of a chiral quantum field theory. This representation enables the quantitative control of the coefficients of the Laughlin wavefunction times an arbitrary monomial symmetric polynomial when expanded in a Slater determinant or permanent basis. It renders the properties, such as factorization and the renewal structure, inherent in such fractional quantum Hall wavefunctions transparent. We prove bounds on the correlators of the chiral quantum field theory and utilize this representation to demonstrate the exponential decay of connected correlations and a gap in the entanglement spectrum on a thin cylinder.


[198] 2601.12191

Hitchhiker's guide to second-generation Car-Parrinello ab-initio molecular dynamics

In a recent letter [T. D. Kühne, M. Krack, F. Mohamed and M. Parrinello, Phys. Rev. Lett. 98, 066401 (2007)], we outlined a new Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics. Here, we provide a guide to performing actual calculations using our method and demonstrate this on liquid water at ambient conditions. We do not go into methodological details beyond those necessary for applying this approach, but focus on practical details pertinent to our particular implementation within the CP2K/Quickstep code [T. D. Kühne et al., J. Chem. Phys. 152, 194103 (2020)].


[199] 2601.12306

Logarithmic scaling and stochastic criticality in collective attention

We uncover a universal scaling law governing the dispersion of collective attention and identify its underlying stochastic criticality. By analysing large-scale ensembles of Wikipedia page views, we find that the variance of logarithmic attention grows ultraslowly, $\operatorname{Var}[\ln{X(t)}]\propto\ln{t}$, in sharp contrast to the power-law scaling typically expected for diffusive processes. We show that this behaviour is captured by a minimal stochastic differential equation driven by fractional Brownian motion, in which long-range memory ($H$) and temporal decay of volatility ($\eta$) enter through the single exponent $\xi\equiv H-\eta$. At marginality, $\xi=0$, the variance grows logarithmically, marking the critical boundary between power-law growth ($\xi>0$) and saturation ($\xi<0$). By incorporating article-level heterogeneity through a Gaussian mixture model, we further reconstruct the empirical distribution of cumulative attention within the same framework. Our results place collective attention in a distinct class of non-Markovian stochastic processes, with close affinity to ageing-like and ultraslow dynamics in glassy systems.


[200] 2601.12446

Operator delocalization in disordered spin chains via exact MPO marginals

We investigate operator delocalization in disordered one-dimensional spin chains by introducing -- besides the already known operator mass -- a complementary measure of operator complexity: the operator length. Like the operator nonstabilizerness, both these quantities are defined from the expansion of time-evolved operators in the Pauli basis. They characterize, respectively, the number of sites on which an operator acts nontrivially and the spatial extent of its support. We show that both the operator mass and length can be computed efficiently and exactly within a matrix-product-operator (MPS) framework, providing direct access to their full probability distributions, without resorting to stochastic sampling. Applying this approach to the disordered XXZ spin-1/2 chain, we find sharply distinct behaviors in non-interacting and interacting regimes. In the Anderson-localized case, operator mass, length, and operator entanglement entropy rapidly saturate, signaling the absence of scrambling. By contrast, in the many-body localized (MBL) regime, for arbitrarily weak interactions, all quantities exhibit a robust logarithmic growth in time, consistent with the known logarithmic light cone of quantum-correlation propagation in MBL. We demonstrate that this behavior is quantitatively captured by an effective $\ell$-bit model and persists across system sizes accessible via tensor-network simulations.


[201] 2601.12470

Stabilizing van der Waals NbOI2 by SiO2 encapsulation for Photonic Applications

Niobium oxide diiodide (NbOI2) is an emerging material for photonics and electronics, distinguished by its exceptional second-order nonlinearity and pronounced in-plane ferroelectricity, both originating from its highly anisotropic ABC-stacked crystal structure. Its broken inversion symmetry enables its optical nonlinear efficiency to scale with thickness, making multilayer NbOI2 highly promising for nonlinear frequency conversion like second harmonic generation or and spontaneous parametric down-conversion in bulk or waveguides. However, under ambient conditions NbOI2 degrades into an amorphous oxide within weeks, severely diminishing its nonlinear response. To overcome this, we investigate SiO2 encapsulation via physical vapor deposition to protect NbOI2 multilayers from environmental degradation. Our systematic study reveals that encapsulation preserves structural integrity and nonlinear optical performance, establishing NbOI2 as a stable candidate for heterogeneous integration in foundry-compatible photonic platforms and quantum technologies.


[202] 2601.12475

Stochastic Quantum Information Geometry and Speed Limits at the Trajectory Level

Standard quantum metrology relies on ensemble-averaged quantities, such as the Quantum Fisher Information (QFI), which often mask the fluctuations inherent to single-shot realizations. In this work, we bridge the gap between quantum information geometry and stochastic thermodynamics by introducing the Conditional Quantum Fisher Information (CQFI). Defined via the Symmetric Logarithmic Derivative, the CQFI generalizes the classical stochastic Fisher information to the quantum domain. We demonstrate that the CQFI admits a decomposition into incoherent (population) and coherent (basis rotation) contributions, augmented by a transient interference cross-term absent at the ensemble level. Crucially, we show that this cross-term can be negative, signaling destructive interference between classical and quantum information channels along individual trajectories. Leveraging this framework, we construct a stochastic information geometry that defines thermodynamic length and action for single quantum trajectories. Finally, we derive fundamental quantum speed limits valid at the single-trajectory level and validate our results using the quantum jump unraveling of a driven thermal qubit.


[203] 2601.12528

Unified multifractal description of longitudinal and transverse intermittency in fully developed turbulence

Small-scale intermittency is a defining feature of fully developed fluid turbulence, marked by rare and extreme fluctuations of velocity increments and gradients that defy mean-field descriptions. Existing multifractal descriptions of intermittency focus primarily on longitudinal increments and gradients, despite mounting evidence that transverse components exhibit distinct and stronger intermittency. Here, we develop a unified multifractal framework that jointly prescribes longitudinal and transverse velocity increments, and extends to gradients. We derive explicit relations linking inertial-range scaling exponents of structure functions to moments of velocity gradients in dissipation range. Our results reveal that longitudinal gradient scaling is solely prescribed by longitudinal structure functions, as traditionally expected; however, transverse gradient scaling is prescribed by mixed longitudinal-transverse structure functions. Validation with high-resolution direct numerical simulations of isotropic turbulence, at Taylor-scale Reynolds number up to $1300$ demonstrates excellent agreement, paving way for a more complete and predictive description of intermittency faithful to the underlying turbulence dynamics.


[204] 2601.12630

Reorienting off-path Nudged Elastic Bands (RONEB) via Minimum Mode Following

Accurate determination of transition states remains central to understanding reaction kinetics. Double-ended methods like the Nudged Elastic Band (NEB) ensure relevant transition states and paths, but incur high computational costs and suffer stagnation on flat or rough potential energy surfaces. Conversely, single-ended eigenmode-following techniques offer efficiency but cannot often be constrained between specific states. Here, we present the Reorienting Off-path Nudged Elastic Bands (RONEB), an adaptive hybrid algorithm that integrates the double ended nature of the NEB with the acceleration of single ended Min-Mode Following methods. RONEB provides stability based on the history of the path optimization, relative force triggering, and an alignment-based back-off penalty to dynamically decouple the climbing image from the elastic band constraints. We benchmark the method against the standard Climbing Image NEB (CI-NEB) across the Baker-Chan transition state test set using the PET-MAD machine-learned potential and the OptBench Pt(111) heptamer island surface diffusion set. A Bayesian analysis of the performance data quantifies a median reduction in gradient calls of 46.3% [95% CrI: -54.7%, -36.9%] relative to the baseline, while surface diffusion tests reveal a 28% reduction across 59 metallic rearrangement mechanisms. These results establish RONEB as a highly effective tool for high-throughput automated chemical discovery.


[205] 2601.12642

Inertia-Dilatancy Interplay Governs Shear-Thickening Drop Impact

Combining high-speed photography with direct force measurements, we investigate the impact dynamics of drops of cornstarch-water mixtures -- a premier example of shear-thickening fluids -- across a wide range of impact conditions. Our study identifies three distinct impact regimes. In addition to the liquid-like and solid-like behaviors generally expected for the impact-induced response of shear-thickening fluids, we uncover a counterintuitive regime in which high-concentration cornstarch-water mixtures display a liquid-like response at the onset of impact when shear rates are high and only transition to a solid-like behavior at later times as shear rates reduce. By integrating the classic drop-impact theory with the Reynolds-Darcy mechanism for dilatancy, we develop a unified model that quantitatively describes the impact dynamics of shear-thickening drops across all regimes. Our work reveals the unexpected response of shear-thickening fluids to ultra-fast deformation and advances fundamental understanding of drop impact for complex fluids.


[206] 2601.12673

Purely equatorial lasing in spherical liquid crystal polymer microlasers with engineered refractive index gradient

Liquid crystal whispering gallery mode microlasers show high sensitivity to external stimuli and distinct spectral features, rendering them ideally suited for various sensing applications. They also offer intrinsic anisotropic optical properties, which can be used to shape and manipulate light even inside spatially highly symmetric structures. Here, we report the synthesis and detailed optical characterization of a spherical bipolar liquid crystal polymer microlaser that tightly confines the optical path of whispering gallery modes to the equatorial plane. By controlled anchoring of the liquid crystal mesogens followed by polymerization, a fixed refractive index gradient is formed within the spherical microcavity. Consequently, only transverse electric (TE) modes oscillating in the equatorial plane experience the high extraordinary refractive index, allowing to confine lasing into a single plane. Furthermore, we observe that the refractive index gradient causes a characteristic splitting of the TE modes. By combining hyperspectral imaging and analytical modeling, we demonstrate that the observed splitting is caused by lifting of the energy degeneracy of higher order azimuthal laser modes, enabling direct insights into the complex interplay of refractive index gradients and resulting whispering gallery mode confinement. In addition, the unique ability to confine lasing of a spherical microbead into only a single plane makes these microlasers independent of the exact position of the pump beam, which allows consistent localized sensing especially in combination with fast point scanning microscopes or inside highly dynamic biological environments.


[207] 2601.12717

Energy flow controls the stability of multitrophic ecosystems with stratified nonreciprocity

Complex systems with nonreciprocal interactions are often stratified into layers. Ecosystems are a prime example, where species at one trophic level grow by consuming those at another. Yet the dynamical consequences of such stratified nonreciprocity -- where the correlation between growth and consumption differs across trophic levels -- remain unexplored. Here, using an ecological model with three trophic levels, we reveal an emergent asymmetry: nonreciprocal interactions between consumers and predators (top and middle level) destabilize ecosystems far more readily than nonreciprocity between consumers and resources (middle and bottom level). We analytically derive the phase diagram for the model and show that its stability boundary is controlled by energy flow across trophic levels. Because energy flows upward -- from resources to predators -- diversity is progressively lower at higher trophic levels, which we show explains the asymmetry. Lowering energy flow efficiency flips the asymmetry toward resources and remarkably expands the stable region of the phase diagram, suggesting that the famous "10% energy transfer" seen in natural ecosystems might promote stability. More broadly, our findings show that the location of nonreciprocity within a complex network, not merely its magnitude, determines stability.


[208] 2601.12787

Connecting Magic Dynamics in Thermofield Double States to Spectral Form Factors

Under unitary evolution, chaotic quantum systems initialized in simple states rapidly develop high complexity, precluding any efficient classical description. Quantum chaos is traditionally characterized by spectral properties of the Hamiltonian, most notably through the spectral form factor, while the hardness of classical simulation within the stabilizer formalism, commonly referred to as quantum magic, can be quantified by the stabilizer Rényi entropy. In this Letter, we propose a relation between the dynamics of the stabilizer Rényi entropy for thermofield double states and the spectral form factor, based on general arguments for chaotic systems with all-to-all interactions. This relation implies that the saturation of the stabilizer Rényi entropy is governed by a first-order dynamical transition. We then demonstrate this relation explicitly in the Sachdev-Ye-Kitaev model, using an auxiliary-spin representation of the stabilizer Rényi entropy that exhibits an emergent $Z_2$ symmetry. We further find that, in the high-temperature regime of the SYK model, the transition occurs at a finite time, with the long-time phase marked by spontaneous $Z_2$ symmetry breaking. In contrast, at low temperatures, the transition is pushed to times exponentially long in the system size. Our results reveal an intriguing interplay between quantum chaos and quantum magic.


[209] 2601.12836

Development of next-generation light-weight ternary Mg--Al--Li alloys for beampipe applications in particle accelerators

The current study reports the design of advanced light-weight materials for high-energy accelerator beampipe applications. The objective is to optimize the combined requirements of high radiation length and stiffness properties of the designed materials. The present study targets conventional beampipe materials such as aluminum, titanium, and stainless steel as primary performance benchmarks. These conventional beampipes are used at synchrotron radiation sources, such as Indus-1 and Indus-2 in India, the Nuclotron-based Ion Collider Facility in Russia, and the ring synchrotron facility SIS 100/300 at the Facility for Antiproton and Ion Research in Germany. In this context, a series of ternary Mg--Al--Li alloys is systematically investigated to enhance the figure of merit. Two aluminum--rich alloys, A1 ($\mathrm{Al_{61.5}Li_{10.8}Mg_{27.7}}$) and A2 ($\mathrm{Al_{66}Li_{19.4}Mg_{14.6}}$), along with three magnesium-rich alloys, M1 ($\mathrm{Al_{23.9}Li_{29.3}Mg_{46.8}}$), M2 ($\mathrm{Al_{19}Li_{20.6}Mg_{60.4}}$), and M3 ($\mathrm{Al_{39.8}Li_{20.1}Mg_{40.1}}$) are explored. Thermodynamic stability, density, liquidus temperature, and phases are evaluated using Latin hypercube sampling within the Thermo-Calc TC-Python framework. Elastic properties are obtained from density functional theory calculations performed using the Vienna \textit{Ab Initio} Simulation Package. Our results show that, although the elastic moduli ($E$) of the investigated Mg-Al-Li alloys are comparable to those of conventional beampipe materials, their significantly higher radiation lengths ($X_0$) lead to an overall improvement in the figure of merit $X_0 E^{1/3}$.


[210] 2601.12858

Creation of ultracold heteronuclear p-wave Feshbach molecules

We report the creation of optically trapped ultracold heteronuclear p-wave Feshbach molecules in a mixture of 23Na and 87Rb atoms. With loss spectroscopy and binding energy measurements, we systematically characterize the interspecies p-wave Feshbach resonances near 284 G. Leveraging this understanding, we use magneto-association to form p-wave NaRb Feshbach molecules, producing both pure samples and mixtures of molecules in different angular momentum states. Additionally, we investigate the inelastic loss of these molecules, primarily influenced by atom-molecule and molecule-molecule collisions. Our results represent a significant step toward realizing tunable p-wave interactions in heteronuclear ultracold systems and provide a foundation for exploring non-zero angular momentum molecules.


[211] 2601.12941

PYVALE: A Fast, Scalable, Open-Source 2D Digital Image Correlation (DIC) Engine Capable of Handling Gigapixel Images

Pyvale is an open-source software package that aims to become an all-in-one tool for sensor simulation, sensor uncertainty quantification, sensor placement optimization, and calibration/validation. Central to this is support for image-based sensors, with a dedicated Digital Image Correlation (DIC) module designed for both standalone use and integration within broader experimental design workflows. The design philosophy behind the DIC engine in Pyvale prioritizes a user-friendly Python interface with performant compiled code under the hood. This paper covers Pyvale's 2D DIC engine design, implementation, metrological performance compared to other DIC codes, and the unique ability to handle gigapixel size scanning electron microscope (SEM) images. Finally, we compare runtimes between Pyvale and other open-source DIC codes and show strong computational performance across a range of image resolutions and thread counts.


[212] 2601.12956

Dislocation Entropy: Temperature and Density Dependence

Laser hardening of metals occurs under the influence of a shock wave, which changes the distribution and density of one-dimensional defects - dislocations. There is a relationship between the density of dislocations, the grain size and the resistance of a single crystal to shear loading. The mechanism of hardening processes continues to be intensively studied, and the dynamics of defects plays a central role here. In this paper, the dislocation entropy is analyzed from a combinatorial point of view and from the point of view of a physical oscillator with a given energy reserve. Both contributions play an important role in describing the free energy of a one-dimensional ensemble of dislocations, and are necessary to take into account the dynamic processes inside the grain of a polycrystalline structure. Keywords: Laser Shock Peening, statistical mechanics


[213] 2601.13038

Failure of the mean-field Hartree approximation for a bosonic many-body system with non-Hermitian Hamiltonian

Mean-field Hartree theory is a central tool for reducing interacting many-body dynamics to an effective nonlinear one-particle evolution. This approximation has been employed also when the Hamiltonian that governs the many-body dynamics is not Hermitian. Indeed, non-Hermitian Hamiltonians model particle gain/loss or the evolution of open quantum systems between consecutive quantum jumps. Furthermore, the validity of the Hartree approximation for generic non-Hermitian Hamiltonians lies at the basis of a quantum algorithm for nonlinear differential equations. In this work, we show that this approximation can fail. We analytically solve a model of $N$ bosonic qubits with two-body interactions generated by a purely anti-Hermitian Hamiltonian, determine an analytic expression for the limit for $N\to\infty$ of the one-particle marginal state and show that such a limit does not agree with the solution of the non-Hermitian Hartree evolution equation. We further show that there exists an initial condition such that the exact one-particle marginal state undergoes a finite-time transition to a mixed state, a phenomenon that is completely absent in the case of Hermitian Hamiltonians. Our findings challenge the validity of the mean-field Hartree approximation for non-Hermitian Hamiltonians, and call for additional conditions for the validity of the mean-field regime to model the dynamics of particle gain and loss and the open-system dynamics in bosonic many-body systems.


[214] 2601.13278

Quantum eigenvalues and eigenfunctions of an electron confined between conducting planes

Two of the most iconic systems of quantum physics are the particle in a box and the Coulomb potential (the third is, of course, the harmonic oscillator). In this expository paper, we consider the quantum solution to the problem of an electron confined between the grounded planes of an infinite capacitor. The potential arises from the image charges that form in the grounded planes, along with the added condition that at x = 0, L, where L is the distance between the planes, the wavefunction must be zero. This effectively couples a hydrogen like system to a particle-in-a-box (PIB) based on L, the distance between the planes. The problem of finding the electrostatic potential of this infinite series of image charges is an old one, going back to at least 1929. Here, we give a short derivation for one of the limiting cases that yields a compact expression and show how the Kellogg infinite summation formula converges to that value. We note here that this potential is a symmetric double well potential, so there will be many familiar properties of its solutions. Then using that potential, we solve Schrödinger's equation using a spectral technique. The limiting forms of a particle in a box for small L (and high E), and that of a (degenerate) bound image charge at large L and small energy are recovered. We also discuss the tunneling level splitting that occurs in the transition from the large L to the small L regime.


[215] 2601.13333

Polynomial-time certification of fidelity for many-body mixed states and mixed-state universality classes

Computation of Uhlmann fidelity between many-body mixed states generally involves full diagonalization of exponentially large matrices. In this work, we introduce a polynomial-time algorithm to compute certified lower and upper bounds for the fidelity between matrix product density operators (MPDOs). Our method maps the fidelity estimation problem to a variational optimization of sequential quantum circuits, allowing for systematic improvement of the lower bounds by increasing the circuit depth. Complementarily, we obtain certified upper bounds on fidelity by variational lower bounds on the trace distance through the same framework. We demonstrate the power of this approach with two examples: fidelity correlators in critical mixed states, and codeword distinguishability in an approximate quantum error-correcting code. Remarkably, the variational lower bound accurately track the universal scaling behavior of the fidelity with a size-consistent relative error, allowing for the extraction of previously unknown critical exponents. Our results offer an exponential improvement in precision over known moment-based bounds and establish a scalable framework for the verification of many-body quantum systems.


[216] 2601.13367

Stochastic resetting induces quantum non-Markovianity

Stochastic resetting describes dynamics which are reinitialized to a reference state at random times. These protocols are attracting significant interest: they can stabilize nonequilibrium stationary states, generate correlations in noninteracting systems, and enable optimal search strategies. While a constant reset probability results in a Markovian dynamics, much less is known about non-Markovian effects in quantum stochastic resetting. Here, we analyze memory effects in these processes -- examining the evolution of quantum states and of observables -- through witnesses of non-Markovianity for open quantum systems. We focus on discrete-time reset processes, which are of particular interest as they can be implemented on existing gate-operated quantum devices. We show that these processes are generically described by non-divisible maps and, in non-classical scenarios where the effective reset probability can become negative, can feature revivals in the state distinguishability. Our results reveal non-Markovian effects in quantum stochastic resetting and show that a time-dependent reset may be exploited to engineer enhanced stationary quantum correlations.


[217] 2601.13415

Precise estimation of the coupling strength between two nanomechanical modes from four Ramsey fringes

We experimentally determine the coupling strength between two strongly coupled nanomechanical modes using a Ramsey-inspired technique optimized for signals as short as four fringes. The method is applied to precisely probe the change of the coupling rate induced by a modification of the microwave-cavity readout field. It opens a pathway towards sensing electrostatic field fluctuations approaching single-charge resolution.


[218] 2601.13467

Quantum Entanglement, Stratified Spaces, and Topological Matter: Towards an Entanglement-Sensitive Langlands Correspondence

Recently, quantum entanglement has been presented as a cohomological obstruction to reconstructing a global quantum state from locally compatible information, where sheafification provides a functor that is forgetful with regards to global-from-local signatures while acting faithfully with respect to within-patch multipartite structures. Nontrivial connections to Hecke modifications and the geometric Langlands program are explored in the process. The aim of this work is to validate and extend a number of the claims made in [arXiv:2511.04326] through both theoretical analysis and numerical simulations, employing concrete perspectives from condensed matter physics.


[219] 2601.13530

Onset of thermalization of q-deformed SU(2) Yang-Mills theory on a trapped-ion quantum computer

Nonequilibrium dynamics of quantum many-body systems is one of the main targets of quantum simulations. This focus - together with rapid advances in quantum-computing hardware - has driven increasing applications in high-energy physics, particularly in lattice gauge theories. However, most existing experimental demonstrations remain restricted to (1+1)-dimensional and/or abelian gauge theories, such as the Schwinger model and the toric code. It is essential to develop quantum simulations of nonabelian gauge theories in higher dimensions, addressing realistic problems in high-energy physics. To fill the gap, we demonstrate a quantum simulation of thermalization dynamics in a (2+1)-dimensional $q$-deformed $\mathrm{SU}(2)_3$ Yang-Mills theory using a trapped-ion quantum computer. By restricting the irreducible representations of the gauge fields to the integer-spin sector of $\mathrm{SU}(2)_3$, we obtain a simplified yet nontrivial model described by Fibonacci anyons, which preserves the essential nonabelian fusion structure of the gauge fields. We successfully simulate the real-time dynamics of this model using quantum circuits that explicitly implement $F$-moves. In our demonstrations, the quantum circuits execute up to 47 sequential $F$-moves. We identify idling errors as the dominant error source, which can be effectively mitigated using dynamical decoupling combined with a parallelized implementation of $F$-moves.


[220] 2601.13582

Revealing mesoscale bubble and particle dynamics in ultrasound-driven multiphase fluids by ultrafast synchrotron X-ray radiography and hybrid modelling

Multiphase fluid flows comprising of mesoscale solid particles, liquid droplets, or gas bubbles are common in both natural and man-made systems, but quantifying the energy transfer is challenging due to complex bubble-particle interactions. In this study, we used ultrafast synchrotron X-ray imaging to study the mesoscale dynamic interactions among ultrasonic cavitation bubbles and hydrophobic particles or clusters. Critical dynamic information and data were extracted from the vast amount of X-ray images and then fed into the hybrid analytical-numerical model for calculating the energy transfer from the oscillating bubble and the imploding bubble to the nearby hydrophobic particles. Using the Ni spherical microparticles as an example, at bubble oscillation approximately 16% (80-320 nJ) of the local energy was transferred to the particle. At bubble implosion, the transferred energy increased approximately 26% (0.135-1.09 uJ). Local energy transfer occurred on timescales of 1 us to 1 ms and length scales of 1 um to 1 mm. Within each ultrasound cycle, kinetic and potential energy underwent complex exchanges, with local energy exhibiting a stepwise decay at the end of each cycle. The transferred energy was mainly consumed for enabling highly efficient particle dispersion. This research provides quantitative insights into optimizing hydrophobic nanomaterial dispersion and has broader implications for interfacial energy transfer processes such as making suspensions, composite materials and exfoliated 2D materials.


[221] 2601.13598

Efficient local classification of parity-based material topology

Although the classification of crystalline materials can be generally handled by momentum-space-based approaches, topological classification of aperiodic materials remains an outstanding challenge, as the absence of translational symmetry renders such conventional approaches inapplicable. Here, we present a numerically efficient real-space framework for classifying parity-based $\mathbb{Z}_2$ topology in aperiodic systems based on the spectral localizer framework and the direct computation of the sign of a Pfaffian associated with a large sparse skew-symmetric matrix. Unlike projector-based or momentum-space-based approaches, our method does not rely on translational symmetry, spectral gaps in the Hamiltonian's bulk, or gapped auxiliary operators such as spin projections, and instead provides a local, energy-resolved topological invariant accompanied by an intrinsic measure of topological protection. A central contribution of this work is the development of a scalable sparse factorization algorithm that enables the reliable determination of the Pfaffian's sign for large sparse matrices, making the approach practical to realistic physical materials. We apply this framework to identify the quantum spin Hall effect in quasicrystalline class AII systems, including gapless heterostructures, and to diagnose fragile topology in a large $C_2 \mathcal{T}$-symmetric photonic quasicrystal. Overall, our results demonstrate that the spectral localizer, combined with efficient sparse numerical methods, provides a unified and robust tool for diagnosing parity-based topological phases in aperiodic electronic, photonic, and acoustic materials where conventional band-theoretic indexes are inapplicable.


[222] 2601.13623

Programmable branched flow of light

We demonstrate deterministic control of branched flow of light using anisotropic nematic liquid crystals. By sculpting the director field via photoalignment, we create spatially programmable optical potentials that govern light scattering and propagation. This platform enables configurable, anisotropic branched flow of light and reveals a universal scaling law for its characteristic features, directly connecting disordered photonics with mesoscopic wave transport. Under extreme anisotropy, we observe a pronounced directional channeling effect, driven by anomalous symmetry-breaking velocity diffusion, which concentrates light propagation along preferential directions while suppressing transverse spreading. These findings establish a tunable material platform for harnessing branched flow of light, opening pathways toward on-chip photonic circuits that exploit disorder-guided transport, scattering-resilient endoscopic imaging, and adaptive optical interfaces in complex media.


[223] 2601.13825

Comparative study of quartet superfluid state: Quartet Bardeen-Cooper-Schrieffer theory and generalized Nambu-Gor'kov formalism

We theoretically investigate a quartet superfluid state in fermionic matter by using the quartet Bardeen-Cooper-Schrieffer (BCS) variational theory and the Green's function method. We demonstrate that the quartet BCS theory with the multiple-infinite-product ansatz successfully reproduces an exact four-body result in a one-dimensional four-component Fermi gas at the dilute limit, in contrast to the single-infinite-product ansatz. To see the validity of the quartet BCS state, we derive the self-consistent equation for the quartet superfluid order parameter within the generalized imaginary-time Nambu-Gor'kov formalism, which is found to be consistent with the quartet BCS variational equation. Moreover, by numerically computing the momentum-resolved single-particle spectral function in a one-dimensional system, we discuss how the single-particle spectra evolve with increasing the strength of the four-body cluster formation. We show that a coherent BCS-like quasiparticle branch on the weak-coupling side evolves into a strongly damped, continuum-dominated spectrum in the strong-coupling side, while nonzero quartet superfluid order parameter persists throughout the crossover regime. Our results would be useful for understanding beyond-BCS pairing effects and four-body cluster formations in fermionic systems in an interdisciplinary way.


[224] 2601.13845

Interpretable, Physics-Informed Learning Reveals Sulfur Adsorption and Poisoning Mechanisms in 13-Atom Icosahedra Nanoclusters

Transition-metal nanoclusters exhibit structural and electronic properties that depend on their size, often making them superior to bulk materials for heterogeneous catalysis. However, their performance can be limited by sulfur poisoning. Here, we use dispersion-corrected density functional theory (DFT) and physics-informed machine learning to map how atomic sulfur adsorbs and causes poisoning on 13-atom icosahedral clusters from 30 different transition metals (3$d$ to 5$d$). We measure which sites sulfur prefers to adsorb to, the thermodynamics and energy breakdown, changes in structure, such as bond lengths and coordination, and electronic properties, such as $\varepsilon_d$, the HOMO-LUMO gap, and charge transfer. Vibrational analysis reveals true energy minima and provides ZPE-based descriptors that reflect the lattice stiffening upon sulfur adsorption. For most metals, the metal-sulfur interaction mainly determines adsorption energy. At the same time, distortion penalties are usually moderate but can be significant for a few metals, suggesting these are more likely to restructure when sulfur is adsorbed. Using unsupervised \textit{k}-means clustering, we identify periodic trends and group metals based on their adsorption responses. Supervised regression models with leave-one-feature-out analysis identify the descriptors that best predict adsorption for new samples. Our results highlight the isoelectronic triad \ce{Ti}, \ce{Zr}, and \ce{Hf} as a balanced group that combines strong sulfur binding with minimal structural change. Additional DFT calculations for \ce{SO2} adsorption reveal strong binding and a clear tendency toward dissociation on these clusters, linking electronic states, lattice response, and poisoning strength. These findings offer data-driven guidelines for designing sulfur-tolerant nanocatalysts at the subnanometer scale.


[225] 2601.13932

Generating consensus and dissent on massive discussion platforms with an $O(N)$ semantic-vector model

Reaching consensus on massive discussion networks is critical for reducing noise and achieving optimal collective outcomes. However, the natural tendency of humans to preserve their initial ideas constrains the emergence of global solutions. To address this, Collective Intelligence (CI) platforms facilitate the discovery of globally superior solutions. We introduce a dynamical system based on the standard $O(N)$ model to drive the aggregation of semantically similar ideas. The system consists of users represented as nodes in a $d=2$ lattice with nearest-neighbor interactions, where their ideas are represented by semantic vectors computed with a pretrained embedding model. We analyze the system's equilibrium states as a function of the coupling parameter $\beta$. Our results show that $\beta > 0$ drives the system toward a ferromagnetic-like phase (global consensus), while $\beta < 0$ induces an antiferromagnetic-like state (maximum dissent), where users maximize semantic distance from their neighbors. This framework offers a controllable method for managing the tradeoff between cohesion and diversity in CI platforms.


[226] 2601.14011

Numerical solution of Smoluchowski coagulation equation combined with Ostwald ripening

The processes of simultaneous coagulation and Ostwald ripening of particles in the concluding stage of phase transformation are considered. We solve the integro-differential system of Smoluchowski-type kinetic and mass balance equations using a computationally efficient numerical algorithm based on low-rank matrices. We compare our numerical solutions for different initial particle-volume distributions with the universal distribution function for combined coagulation and Ostwald ripening. Our calculations confirm the tendency of a particulate ensemble to the universal particle-volume distribution to be approached asymptotically after a sufficiently long time, no matter what the initial particle-volume distribution might be.


[227] 2601.14083

Quantum Pontus-Mpemba Effect Enabled by the Liouvillian Skin Effect

We unveil a quantum Pontus-Mpemba effect enabled by the Liouvillian skin effect in a dissipative tight-binding chain with asymmetric incoherent hopping and coherent boundary coupling. The skin effect, induced by non-reciprocal dissipation, localizes relaxation modes near the system boundaries and gives rise to non-orthogonal spectral geometry. While such non-normality is often linked to slow relaxation, we show that it can instead accelerate relaxation through a two-step protocol - realizing a quantum Pontus-Mpemba effect. Specifically, we consider a one-dimensional open chain with coherent hopping $J$, asymmetric incoherent hoppings $J_{\rm R} \neq J_{\rm L}$, and a controllable end-to-end coupling $\epsilon$. For $\epsilon=0$, the system exhibits the Liouvillian skin effect, with left and right eigenmodes localized at opposite edges. We compare two relaxation protocols toward the same stationary state: (i) a direct relaxation with $\epsilon=0$, and (ii) a two-step (Pontus) protocol where a brief coherent evolution transfers the excitation across the lattice before relaxation. Although both share the same asymptotic decay rate, the two-step protocol relaxes significantly faster due to its reduced overlap with the slow boundary-localized Liouvillian mode. The effect disappears when $J_{\rm R}=J_{\rm L}$, i.e., when the skin effect vanishes. Our results reveal a clear connection between boundary-induced non-normality and protocol-dependent relaxation acceleration, suggesting new routes for controlling dissipation and transient dynamics in open quantum systems.


[228] 2601.14153

Information transport and transport-induced entanglement in open fermion chains

Understanding the entanglement dynamics in quantum many-body systems under steady-state transport conditions is an actively pursued challenging topic. Hydrodynamic equations, akin to transport equations for charge or heat, would be of great interest but face severe challenges because of the inherent nonlocality of entanglement and the difficulty of identifying conservation laws. We show that progress is facilitated by using information as key quantity related to - but distinct from - entanglement. Employing the recently developed "information lattice" framework, we characterize spatially and scale-resolved information currents in nonequilibrium open quantum systems. Specifically, using Lindblad master equations, we consider noninteracting fermion chains coupled to dissipative reservoirs. By relating the information lattice to a noise lattice constructed from particle-number fluctuations, we show that information is experimentally accessible via noise easurements. Similarly, local information currents can be obtained by measuring particle currents, onsite occupations, and covariances of particle numbers and/or particle currents. Using the fermionic negativity to quantify bipartite entanglement, we also study transport-induced entanglement and its relation to information currents. For a clean particle-hole symmetric chain, we find that information currents are shielded from entering the information lattice. Impurities or particle-hole asymmetry break this effect, causing information current flow and entanglement between end segments of the chain. Our work opens the door to systematic investigations of information transport and entanglement generation in driven open quantum systems far from equilibrium.


[229] 2601.14170

Wasserstein distances between ERGMs and Erdős-Rényi models

Ferromagnetic exponential random graph models (ERGMs) are random graph models under which the presence of certain small structures (such as triangles) is encouraged; they can be constructed by tilting an Erdős--Rényi model by the exponential of a particular nonlinear Hamiltonian. These models are mixtures of metastable wells which each behave macroscopically like an Erdős--Rényi model, exhibiting the same laws of large numbers for subgraph counts [CD13]. However, on the microscopic scale these metastable wells are very different from Erdős--Rényi models, with the total variation distance between the two measures tending to 1 [MX23]. In this article we clarify this situation by providing a sharp (up to constants) bound on the Hamming-Wasserstein distance between the two models, which is the average number of edges at which they differ, under the coupling which minimizes this average. In particular, we show that this distance is $\Theta(n^{3/2})$, quantifying exactly how these models differ. An upper bound of this form has appeared in the past [RR19], but this was restricted to the subcritical (high-temperature) regime of parameters. We extend this bound, using a new proof technique, to the supercritical (low-temperature) regime, and prove a matching lower bound which has only previously appeared in the subcritical regime of special cases of ERGMs satisfying a "triangle-free" condition [DF25]. To prove the lower bound in the presence of triangles, we introduce an approximation of the discrete derivative of the Hamiltonian, which controls the dynamical properties of the ERGM, in terms of local counts of triangles and wedges (two-stars) near an edge. This approximation is the main technical and conceptual contribution of the article, and we expect it will be useful in a variety of other contexts as well. Along the way, we also prove a bound on the marginal edge probability under the ERGM via a new bootstrapping argument. Such a bound has already appeared [FLSW25], but again only in the subcritical regime and using a different proof strategy.


[230] 2601.14178

Anomalous Tip-Sample Distance Behavior on the Tip-Enhanced Raman Spectroscopy of Graphene in Ambient Conditions

Tip-Enhanced Raman Spectroscopy (TERS) combines Raman spectroscopy with scanning probe microscopy to overcome the spatial resolution limitation imposed by light diffraction, offering a primary optical technique for the comprehensive study of two-dimensional (2D) materials. In this work, we investigate an anomalous decay profile of the TERS intensity of the graphene 2D band as the tip-sample separation changes, observations enabled by high TERS efficiency and accuracy in tip-approach and tip-retract procedures. The anomalous results can be properly described by the addition of an ad hoc deformation to the effective tip-sample distance, rationalized here as due to the presence of a liquid meniscus formed via capillary forces.


[231] 2601.14179

Caustics of finitely dense inertial particles

Estimating collision rates is of immense importance in particle-laden flows. An economical way of doing this is to directly identify incidences of caustics, or extreme clustering, by tracking particle velocity gradients in the neighborhoods of individual particles. The objective of this work is two-fold. (i) We find conditions under which caustics form, in point-vortex flow and in two-dimensional turbulence. While caustics are known to form in regions of strain, we show that the type of strain is key. Particles must remain in compressional strain throughout the process to form caustics, whereas survivor particles: which visit high strain but do not form caustics, briefly go through extensional strain during the early part of the process. This enables survivor particles to attain significantly straighter paths, and to move faster, whereas caustics particles follow paths of high curvature and move slower. As a result, caustics particles stay longer in high-strain regions than survivors. (ii) We ask about the effect of finite particle density, where the particle is denser than the background fluid. We show that finite-density particles need to sample stronger background strain than infinite-density ones to trigger caustics, but our other findings are universal across particle density.


[232] 2601.14183

Gradient-based optimization of exact stochastic kinetic models

Stochastic kinetic models describe systems across biology, chemistry, and physics where discrete events and small populations render deterministic approximations inadequate. Parameter inference and inverse design in these systems require optimizing over trajectories generated by the Stochastic Simulation Algorithm, but the discrete reaction events involved are inherently non-differentiable. We present an approach based on straight-through Gumbel-Softmax estimation that maintains exact stochastic simulations in the forward pass while approximating gradients through a continuous relaxation applied only in the backward pass. We demonstrate robust performance on parameter inference in stochastic gene expression, accurately recovering kinetic rates of telegraph promoter models from both moment statistics and full steady-state distributions across diverse and challenging parameter regimes. We further demonstrate the method's applicability to inverse design problems in stochastic thermodynamics, characterizing Pareto-optimal trade-offs between non-equilibrium currents and entropy production. The ability to efficiently differentiate through exact stochastic simulations provides a foundation for systematic inference and rational design across the many domains governed by continuous-time Markov dynamics.


[233] 2601.14185

Localizable Entanglement as an Order Parameter for Measurement-Induced Phase Transitions

We identify localizable entanglement (LE) as an order parameter for measurement-induced phase transitions (MIPT). LE exhibits universal finite-size scaling with critical exponents that match previous MIPT results and gives a nice operational interpretation connecting MIPTs to classical percolation. Remarkably, we find that LE decays exponentially with distance in the area-law phase as opposed to being essentially constant for the volume-law phase thereby, discover an intrinsic length scale $\xi_E$ that diverges at the critical measurement probability $p_c$. While classical percolation transition captures successful transport across a network, MIPT as characterized by LE can be interpreted as quantifying the amount of quantum teleportation between two given nodes in a quantum circuit. Building on this insight, we propose a two-ancilla protocol that provides an experimentally accessible readout of entanglement redistribution across the transition.


[234] 2601.14206

Locality forces equal energy spacing of quantum many-body scar towers

Quantum many-body scars are non-thermal eigenstates embedded in the spectra of otherwise non-integrable Hamiltonians. Paradigmatic examples often appear as quasiparticle towers of states, such as the maximally ferromagnetic spin-1/2 states, also known as Dicke states. A distinguishing feature of quantum many-body scars is that they admit multiple local "parent" Hamiltonians for which they are exact eigenstates. In this work, we show that the locality of such parent Hamiltonians strongly constrains the relative placement of these states within the energy spectrum. In particular, we prove that if the full set of Dicke states are exact eigenstates of an extensive local Hamiltonian, then their energies must necessarily be equally spaced. Our proof builds on recent results concerning parent Hamiltonians of the $W$ state, together with general algebraic structures underlying such quasiparticle towers. We further demonstrate that this equal spacing property extends to local Hamiltonians defined on arbitrary bounded-degree graphs, including regular lattices in any spatial dimension and expander graphs. Hamiltonians with $k$-local interactions and a bounded number of interaction terms per site are also encompassed by our proof. On the same classes of graphs, we additionally establish equal spacing for towers constructed from multi-site quasiparticles on top of product states. For the towers considered here, an immediate corollary of the equal spacing property is that any state initialized entirely within the quantum many-body scar manifold exhibits completely frozen entanglement dynamics under any local Hamiltonian for which those scars are exact eigenstates. Overall, our results reveal a stringent interplay between locality and the structure of quantum many-body scars.


[235] 2105.12844

Non-Equilibrium Steady States and Quantum Chaos in a three-site Driven-Dissipative Bose-Hubbard Chains base on Self-Consistent Mean-Field Approach

We investigate the non-equilibrium dynamics and steady-state properties of a driven-dissipative Bose-Hubbard chain using a self-consistent Gutzwiller mean-field (GMF) approach. By employing a robust Picard iteration scheme, we solve the non-linear master equation for the non-equilibrium steady state (NESS) in the presence of strong Kerr nonlinearity. We identify two distinct dynamical regimes governed by the interplay between coherent drive, dissipation, and interaction: a regular quasilinear regime and a chaotic regime. Linear stability analysis reveals that the transition to the chaotic regime is triggered by parametric instabilities arising from the drive-induced coherence. Furthermore, we characterize the onset of quantum chaos by calculating the out-of-time-order correlator (OTOC). Our results show that in the strong coupling regime, the OTOC exhibits rapid exponential growth and saturation, providing a clear signature of information scrambling in this open quantum system. The proposed numerical framework offers an efficient pathway to explore many-body correlations in larger photonic lattices.


[236] 2109.08368

Superradiant phase transitions in one-dimensional correlated Fermi gases with cavity-induced umklapp scattering

The superradiant phase transitions of one-dimensional correlated Fermi gases in a transversely driven optical cavity, under the umklapp condition that the cavity wave number is equal to two times the Fermi wave number, are studied with bosonization and renormalization group techniques. The bosonization of Fermi fields gives rise to an all-to-all sine-Gordon (SG) model due to the cavity-assisted nonlocal interactions, where the Bose fields at any two spatial points are coupled. The superradiant phase transition is then mapped to the Kosterlitz-Thouless phase transition of the all-to-all SG model. The nesting effect, in which the superradiant phase transition can be triggered by an infinitely small atom-cavity coupling strength, is shown to be preserved for any nonattractive local interactions. For attractive local interactions, the phase transition occurs at a finite critical coupling strength. Nevertheless, the analysis of the scaling dimension indicates that the perturbation of the nonlocal cosine term is indeed relevant (irrelevant) when the scaling dimension is lower (higher) than the critical dimension, similar to the case of an ordinary local SG model. Our work provides an analytical framework for understanding the superradiant phase transitions in low-dimensional correlated intracavity Fermi gases.


[237] 2212.00549

Electric Field Tunable Band Gap in Commensurate Twisted Bilayer Graphene

Bernal bilayer graphene exhibits a band gap that is tunable through the infrared with an electric field. We show that sublattice odd commensurate twisted bilayer graphene (C-TBG) exhibits a band gap that is tunable through the terahertz with an electric field. We show that from the perspective of terahertz optics the sublattice odd and even forms of C-TBG are "inflated" versions of Bernal and AA stacked bilayer graphene respectively with energy scales reduced by a factor of 110 for the 21.79 degree commensurate unit cell. This lower energy scale is accompanied by a correspondingly smaller gate voltage, which means that the strong-field regime is more easily accessible than in the Bernal case. Finally, we show that the interlayer coherence energy is a directly accessible experimental quantity through the position of a power-law divergence in the optical conductivity.


[238] 2305.14472

Terahertz Circular Dichroism in Commensurate Twisted Bilayer Graphene

We report calculations of terahertz ellipticities in large-angle, 21.79$^\circ$ and 38.21$^\circ$, commensurate twisted bilayer graphene, and predict values as high as 1.5 millidegrees in the terahertz region for this non-magnetic material. This terahertz circular dichroism exhibits a magnitude comparable to that of chiral materials in the visible region. At low frequencies, the dichroic response is mediated by strong interlayer hybridization, which allows us to probe the symmetry and strength of these couplings. Crucially, lateral interlayer translation tunes this response, in contrast to small twist angle bilayer graphene's near invariance under under interlayer translation. We examine the magnitude and phase of the interlayer coupling for all structures containing fewer than 400 atoms per unit cell. Finally, we find that the dichroism can be manipulated by applying an electric field or with doping.


[239] 2310.10799

Matrix-product-state-based band-Lanczos solver for quantum cluster approaches

We present matrix-product state (MPS) based band Lanczos method as solver for quantum cluster methods such as the variational cluster approximation. While a naïve implementation of MPS as cluster solver would barely improve its range of applicability, we show that our approach makes it possible to treat cluster geometries well beyond the reach of exact diagonalization methods. The key modifications we introduce are a continuous energy truncation combined with a convergence criterion that is more robust against approximation errors introduced by the MPS representation and provides a bound to deviations in the resulting Green's function. The potential of the resulting cluster solver is demonstrated by computing the self-energy functional for the single-band Hubbard model at half filling in the strongly correlated regime, on different cluster geometries. Here, we find that only when treating large cluster sizes, observables can be extrapolated to the thermodynamic limit, which we demonstrate at the example of the staggered magnetization. Treating clusters sizes with up to $6\times 6$ sites we obtain significant improvement over the extrapolation accessible with exact diagonalization solvers when comparing to quantum Monte Carlo results. Finally, we illustrate the applicability of the MPS cluster solver to more complex models by calculating spectral properties as relevant for the electron-doped cuprate CaCuO$_2$.


[240] 2312.12254

Instability cascades in crumpling mylar sheets follow a log-Poisson statistic

The process of aging following a hard quench into a glassy state is characterized universally, for a wide class of materials, by logarithmic evolution of state variables and a power-law decay of two-time correlation functions that collapse only for the ratio of those times. This stands in stark contrast with relaxation in equilibrium materials, where time-translational invariance holds. It is by now widely recognized that these aging processes, which ever so slowly relax a complex disordered material after a quench, are facilitated by activated events. Yet, theories often cited to describe such a non-equilibrium process can be shown to miss pertinent aspects that are inherent to many experiments. A case in point are recent experiments on crumpling sheets of mylar loaded by a weight whose acoustic emissions are measured while the material buckles. Using extensive simulations to generate long time-series of such buckling events, we show that crumpling is a log-Poisson process activated by increasingly rare record-sized fluctuations in a slowly stiffening material characterized by a logarithmically growing length-scale. Crumpling thus adds to a range of glassy materials exhibiting the log-Poisson property, which can be used to discriminate between theories.


[241] 2401.18038

Light-enhanced nonlinear Hall effect

It is well known that a nontrivial Chern number results in quantized Hall conductance. What is less known is that, generically, the Hall response can be dramatically different from its quantized value in materials with broken inversion symmetry. This stems from the leading Hall contribution beyond the linear order, known as the Berry curvature dipole (BCD). While the BCD is in principle always present, it is typically very small outside of a narrow window close to a topological transition and is thus experimentally elusive without careful tuning of external fields, temperature, or impurities. In this work, we transcend this challenge by devising optical driving and quench protocols that enable practical and direct access to large BCD and nonlinear Hall responses. Varying the amplitude of an incident circularly polarized laser drives a topological transition between normal and Chern insulator phases, and importantly allows the precise unlocking of nonlinear Hall currents comparable to or larger than the linear Hall contributions. This strong BCD engineering is even more versatile with our two-parameter quench protocol, as demonstrated in our experimental proposal. Our predictions are expected to hold qualitatively across a broad range of Hall materials, thereby paving the way for the controlled engineering of nonlinear electronic properties in diverse media.


[242] 2406.15220

Preparation of Fe STM tips for room-temperature spin-polarized tunneling spectroscopy

We present a recipe based on field-directed Ar ion etching of iron tips that results in probes suitable for stable spin-polarized scanning tunneling spectroscopy. This is illustrated by a measurement of the spectroscopic mapping of the magnetization of Co islands on Cu(111).


[243] 2408.13099

Magnon-mediated electric current drag and nonlocal spin-Peltier effect in the ac regime

Electron-magnon coupling at the interface between a normal metal and a magnetically ordered insulator modifies the electrical conductivity of the normal metal, an effect known as spin-Hall magnetoresistance. It can also facilitate magnon-mediated electric current drag, the nonlocal electric current response of two normal metal layers separated by a magnetic insulator. Additionally, spin and heat transport are coupled both in the magnetic insulator and across the interfaces to normal metals. In this article, we present a theory of these spintronic and spin-caloritronic effects for time-dependent applied electric fields $E(\omega)$, with driving frequencies $\omega$ up to the THz regime. Our model describes how the dominant transport mechanism, coherent or incoherent magnons, evolves with the driving frequency $\omega$.


[244] 2410.18036

Non-linear anomalous Edelstein response at altermagnetic interfaces

In altermagnets, time-reversal symmetry breaking spin-polarizes electronic states, while total magnetization remains zero. In addition, at altermagnetic surfaces Rashba-spin orbit coupling is activated due to broken inversion symmetry, introducing a competing spin-momentum locking interaction. Here we show that their interplay leads to the formation of complex, chiral spin textures that offer novel, non-linear spin-to-charge conversion properties. Whereas altermagnetic order suppresses the canonical linear in-plane Rashba-Edelstein response, we establish the presence of an \textit{anomalous} transversal Edelstein effect for planar applied electric and magnetic field, or alternatively, an in-plane magnetization. Additionally, we predict a purely electric-field-driven non-linear out-of-plane magnetization. We compute the anomalous response within a general altermagnet $d$-wave model, with parameters extracted from the ab-initio electronic structure of an altermagnetic bilayer. Our results suggest altermagnetic surfaces as a promising platform for unconventional spintronic functionalities.


[245] 2411.04407

Pressure Induced 18 K Superconductivity and Two Superconducting Phases in CuIr2S4

We report pressure-induced superconductivity in the spinel CuIr$_{2}$S$_{4}$ with a transition temperature ($T_{\text{c}}$) reaching \textbf{18.2 K}, establishing a new record for this class of materials and surpassing the decades-old limit of 13.7 K. Our electrical transport and synchrotron X-ray diffraction studies up to 224 GPa reveal the emergence of \textbf{two distinct superconducting phases} from a charge-ordered insulating state. The first phase (SC-I) appears around 18 GPa, and forms a dome-shaped superconducting region in which the resistivity exhibits a pronounced, field- and current-sensitive drop without reaching strict zero above our base temperature. Above 111.8 GPa, a second, lower-$T_{\text{c}}$ phase (SC-II) emerges and coexists with SC-I over a broad pressure range, and SC-II ultimately develops a true zero-resistance state above 122.2 GPa. These superconducting phases are intimately linked to a cascade of structural transitions that systematically distort the frustrated pyrochlore lattice of Ir atoms. Our results expand the potential for superconductivity in spinels and demonstrate a pathway to high-$T_{\text{c}}$ pairing directly from a correlated insulating state driven by lattice tuning.


[246] 2411.08677

Unveiling pressurized bulk superconductivity in a trilayer nickelate Pr4Ni3O10 single crystal

The recent discovery of superconductivity in pressurized Ruddlesden-Popper (RP) nickelates has provided new perspectives on the mechanism of high-temperature superconductivity. Up to now, most experiments concentrated on the lanthanum-related RP phase, so the discovery of new superconducting RP nickelates is highly desirable to reveal their generality. Here we report that high-quality Pr4Ni3O10 single crystal is grown with an optical floating zone furnace under high oxygen pressure. High-pressure transport measurements show that the superconducting state arises above 10 GPa, and the maximum Tc reaches 39 K without saturation, significantly exceeding the value of 25-30 K of La4Ni3O10. Ultrasensitive d.c. magnetic susceptibility measurements under high pressure indicate bulk superconductivity with appreciable superconducting volume fractions. By performing in situ high-pressure synchrotron X-ray diffraction measurements at 16 K, a structural transition is found from monoclinic to tetragonal. Unlike La4Ni3O10, the electronic structure of the high-pressure phase of Pr4Ni3O10 from density functional theory exhibits a dramatic metallization of the sigma-bonding band consisting of three dz2 orbitals and van Hove singularity of coupled bands of dx2-y2 orbitals near the Fermi level, similar to the bilayer nickelate La3Ni2O7. These findings reveal some generic features of both crystal and electronic structures for high-temperature superconductivity in nickelates and multi-layer cuprates.


[247] 2412.01384

Addressing general measurements in quantum Monte Carlo

Quantum Monte Carlo is one of the most promising approaches for dealing with large-scale quantum many-body systems. It has played an extremely important role in understanding strongly correlated physics. However, two fundamental problems, namely the sign problem and general measurement issues, have seriously hampered its scope of application. We propose a universal scheme to tackle the problems of general measurement. The target observables are expressed as the ratio of two types of partition functions $\langle \mathrm{O} \rangle=\bar{Z}/Z$, where $\bar{Z}=\mathrm{tr} (\mathrm{Oe^{-\beta H}})$ and $Z=\mathrm{tr} (\mathrm{e^{-\beta H}})$. These two partition functions can be estimated separately within the reweight-annealing frame, and then be connected by an easily solvable reference point. We have successfully applied this scheme to XXZ model and transverse field Ising model, from 1D to 2D systems, from two-body to multi-body correlations and even non-local disorder operators, and from equal-time to imaginary-time correlations. The reweighting path is not limited to physical parameters, but also works for space and time. Essentially, this scheme solves the long-standing problem of calculating the overlap between different distribution functions in mathematical statistics, which can be widely used in statistical problems, such as quantum many-body computation, big data and machine learning.


[248] 2412.14632

Machine Learning Symmetry Discovery for Integrable Hamiltonian Dynamics

We propose a data-driven Machine-Learning Symmetry Discovery (MLSD) framework for identifying continuous symmetry generators and their Lie-algebraic structure directly from phase-space trajectory data expressed in canonical coordinates. MLSD parameterizes candidate conserved quantities with neural networks and learns antisymmetric structure coefficients by enforcing Poisson-bracket closure, supplemented by a weak independence regularizer. We validate MLSD on two integrable benchmark systems -- the three-dimensional Kepler problem and the three-dimensional isotropic harmonic oscillator -- recovering the expected non-Abelian algebras (respectively $\mathfrak{so}(4)$ and $\mathfrak{su}(3)$) up to basis transformations. This work focuses on integrable benchmark dynamics, where global conserved quantities are well-defined and admit compact representations learnable from canonical-coordinate trajectories. Extending symmetry discovery to mixed or chaotic phase-space regimes is an important direction for future work.


[249] 2412.15817

Imaging the transition from diffusive to Landauer resistivity dipoles

A point-like defect in a uniform current-carrying conductor induces a dipole in the electrochemical potential, which counteracts the original transport field. If the mean free path of the carriers is much smaller than the size of the defect, the dipole results from the purely diffusive motion of the carriers around the defect. In the opposite limit, ballistic carriers scatter from the defect$-$for this situation, Rolf Landauer postulated the emergence of residual resistivity dipoles that are independent of the defect size and thus impose a fundamental limit on the resistance of the parent conductor. Here, we study resistivity dipoles around holes of different sizes in two-dimensional Bi films on Si(111). Using scanning tunneling potentiometry to image the dipoles, we find a crossover from linear to constant scaling behavior of their amplitudes with defect size, manifesting the transition from diffusive to Landauer dipoles. The extracted parameters of the transition allow us to estimate the Fermi wave vector and the carrier mean free path in our Bi films.


[250] 2412.18451

Interaction-induced chiral-transport inversion

We investigate the chiral dynamics of locally interacting bosons in a two-leg flux ladder, where on-site interactions, despite being fully isotropic, counterintuitively reverse the flux-induced chiral transport of density distribution. For a Bose-Einstein condensate (in the mean-field regime), this reversal arises from an interactiondriven dynamical band-occupation inversion, which selectively populates single-particle states of the opposing chirality. Strikingly, the chiral-transport inversion has a few-body, hence beyond-mean-field, origin, as the formation of two-body bound states with reversed chirality dominates the few-body dynamics. This dual pathway, that is, occupation inversion and bound-state formation, underlies the chiral-transport inversion, which challenges the conventional wisdom that isotropic interactions cannot bias density transport. Our work reveals the interplay between interactions and chirality and highlights how correlations engineer exotic quantum transport.


[251] 2412.18494

Topological phases protected by projective space-time inversion symmetry in alkaline-earth-metal-like atoms

An important aspect in categorizing topological phases is whether the system is spinless or spinful, given that these classes exhibit distinct symmetry algebras, leading to disparate topological classifications. By utilizing the projective presentation strategy, the topological phases of spinless (or spinful) systems can be emulated using spinful (or spinless) systems augmented with gauge fields. In this study, we propose to implement the topological phases safeguarded by the unique projective space-time inversion symmetry inherent to spinful models, using synthetic spinless alkaline-earth-metal-like atoms. Employing the separation of orbital and nuclear-spin degrees of freedom, the model is configured as a rectangular tube penetrated by a uniform magnetic flux through each plaquette, which simulates a spinless ladder endowed with projective space-time inversion symmetry satisfying the algebraic properties of a spinful model. For interacting topological phases with interorbital spin-exchange interactions, which also adhere to space-time inversion symmetry, the four-fold degeneracy of edge modes is split into two pairs of edge modes with two-fold this http URL map the complete phase diagram in the end and discover that these interacting topological phases ultimately evolve into distinct charge-density-wave phases via spontaneous symmetry breaking.


[252] 2412.19635

A non-semisimple non-invertible symmetry

We investigate the action of a non-invertible symmetry on spins chains whose topological lines are labelled by representations of the four-dimensional Taft algebra. The main peculiarity of this symmetry is the existence of junctions between distinct indecomposable lines. Sacrificing Hermiticity, we construct several symmetric, frustration-free, gapped Hamiltonians with real spectra and analyse their ground state subspaces. Our study reveals two intriguing phenomena. First, we identify a smooth path of gapped symmetric Hamiltonians whose ground states transform inequivalently under the symmetry. Second, we find a model where a product state and the so-called W state spontaneously break the symmetry, and propose an explanation for the indistinguishability of these two states in the infinite-volume limit in terms of the symmetry category.


[253] 2412.20855

Cascades in transport and optical conductivity of Twisted Bilayer Graphene

Using a combined Dynamical Mean Field Theory and Hartree (DMFT+H) calculation we study the transport and optical properties of the 8-band heavy fermion model for Twisted Bilayer Graphene (TBG) in the normal state. We find resistive states around integer fillings which resemble the ones observed in transport experiments. From a Drude fitting of the low frequency optical conductivity, we extract a very strongly doping-dependent Drude weight and scattering rate, resetting at the integers. For most dopings, particularly above the integers, the Drude scattering rate is high but notably smaller than that of the local electrons. This highlights the important role of itinerant electrons in the transport properties, despite their limited spectral weight on the flat bands. At far infrared frequencies, the optical conductivity exhibits cascades characterized by highly asymmetric resets of the intensity and oscillations in the interband peak frequencies.


[254] 2501.10085

Optical probes of two-component pairing states in transition metal dichalcogenides

Signatures of unconventional superconductivity have been recently observed in certain transition metal dichalcogenides (TMDs), including 4H$_b$-TaS$_2$ and monolayer 2H-NbSe$_2$. While the pairing channel remains unknown, it has been argued that spin fluctuations can stabilize pairing in the two-component $E'$ channel, a $p$-wave spin-triplet state which could be consistent with some of the reported signatures. Exploiting the particular multi-orbital character of the Fermi surface and the presence of Ising spin-orbit coupling, which enable finite optical conductivity in the clean limit, in this work we predict clear-cut optical signatures to detect and distinguish the chiral and nematic ground states of the $E'$ pairing. We quantify how nematic $E'$ states produce a diagonal anisotropy $\sigma_{xx}\!\neq\!\sigma_{yy}$ due to the broken threefold symmetry ($C_3$), while chiral $E'$ states yield a finite optical Hall conductivity $\sigma_{xy}^H$ due to broken time-reversal symmetry, and find both signals could be detected in current experiments. For instance, for realistic gaps in the meV range, we predict a relative anisotropy $\Delta\sigma/\sigma\sim10^{-5}$ in the nematic states, and a polar Kerr rotation of $\theta_K\!\sim\!10^{-5}$ rad in the chiral states. These symmetry fingerprints provide a practical route to distinguish nematic and chiral superconducting order in TMD superconductors.


[255] 2501.12873

Coupling of plasmons to the two-magnon continuum in antiferromagnets

The coupling of magnons and plasmons offers a promising avenue for hybrid quantum systems, facilitating coherent energy and information transfer between magnetic and charge excitations. However, existing mechanisms often depend on spin-orbit coupling or temperature-activated processes, limiting their robustness for low-temperature quantum technologies. Here, we propose a coupling mechanism between plasmons and the two-magnon continuum in antiferromagnetic insulators, which operates at zero temperature and does not require spin-orbit coupling. Using a model system consisting of a two-dimensional electron gas on an insulating antiferromagnetic substrate, we show that the electric field of the plasmons interacts with the magnetically mediated electric polarization in the antiferromagnet, arising from bonds with broken inversion symmetry. This interaction enables a strong coupling to the spin-conserving two-magnon continuum, allowing for efficient hybridization and reaching the ultrastrong coupling regime.


[256] 2502.20010

Robust spin splitting and fermiology in a layered altermagnet

Altermagnetism defies conventional classifications of collinear magnetic phases, standing apart from ferromagnetism and antiferromagnetism with its unique combination of spin-dependent symmetries, net-zero magnetization, and anomalous Hall transport. Although altermagnetic states have been realized experimentally, their integration into functional devices has been hindered by the structural rigidity and poor tunability of existing materials. First, through cobalt intercalation of the superconducting 2H-NbSe$_2$ polymorph, we induce and stabilize a robust altermagnetic phase and using both theory and experiment, we directly observe the lifting of Kramers degeneracy. Additionally, we present spectroscopic insight into a previously hinted low-temperature phase, and provide evidence of its electronic origin. While shedding light on overlooked aspects of altermagnetism, these findings open pathways to spin-based technologies and lay a foundation for advancing the emerging field of altertronics.


[257] 2503.07945

Kagome goldene with flat bands and Dirac nodal line fermions via line-graph epitaxy

The kagome lattice has emerged as a promising platform for investigating exotic quantum phases. However, achieving a single-atomic-layer kagome lattice in elemental materials remains a significant challenge. Here, we introduce line-graph epitaxy, a novel approach that enables the atomic-scale synthesis of goldene, a monolayer of elemental gold atoms arranged in a kagome lattice. Through scanning tunneling microscopy/spectroscopy (STM/STS), and density functional theory (DFT) calculations, we demonstrate the formation of kagome goldene, featuring a flat band with a van Hove singularity approximately 1.1 eV below the Fermi level, signaling strong electron correlation effects. Notably, the flat band is disrupted at the zigzag edges of goldene nanoflakes, revealing substantial edge effects. Furthermore, our calculations show that weak interlayer interactions between goldene and the underlying Au2Ge substrate generate dual Dirac nodal lines through a proximity effect. These findings offer not only a novel strategy for constructing elemental kagome lattices, but also a generalizable framework for fabricating and controlling line-graph materials. This research advances the exploration of quantum phases driven by strong correlations and the design of materials for next-generation quantum technologies.


[258] 2503.11432

Coherent suppression and dephasing-induced reentrance of high harmonics in gapped Dirac materials

High-harmonic generation in solids by intense laser pulses provides a fascinating platform for studying material properties and ultra-fast electron dynamics, where its coherent character is a central aspect. Using the semiconductor Bloch equations, we uncover a mechanism suppressing the high harmonic spectrum arising from the coherent superposition of intra- vs. inter-band contributions. We provide evidence for the generality of this phenomenon by extensive numerical simulations exploring the parameter space in gapped systems with both linear dispersion, such as for massive Dirac Fermions, and with quadratic dispersion, as e.g. for bilayer graphene. Moreover, we demonstrate that, upon increasing dephasing, destructive interference between intra- and inter-band contributions is lifted. This leads to reentrant behavior of suppressed high harmonics, i.e. a crossover from the characteristic spectral "shoulder" to a slowly decaying signal involving much higher harmonics. We supplement our numerical observations with analytical results for the one-dimensional case.


[259] 2504.12455

Valley Splitting Correlations Across a Silicon Quantum Well Containing Germanium

Quantum dots in SiGe/Si/SiGe heterostructures host coherent electron spin qubits, which are promising for future quantum computers. The silicon quantum well hosts near-degenerate electron valley states, creating a low-lying excited state that is known to reduce spin qubit readout and control fidelity. The valley energy splitting is dominated by the microscopic disorder in the SiGe alloy and at the Si/SiGe interfaces, and while Si devices are compatible with large-scale semiconductor manufacturing, achieving a uniformly large valley splitting energy across a many-qubit device spanning mesoscopic distances is an outstanding challenge. In this work we study valley splitting variations in a 1D quantum dot array, formed in a Si$_{0.972}$Ge$_{0.028}$ quantum well, manufactured by Intel. We observe correlations in valley splitting, at both sub-100nm (single gate) and >1$\mu$m (device) lengthscales, that are consistent with alloy disorder-dominated theory and simulation. Our results develop the mesoscopic understanding of Si/SiGe heterostructures necessary for scalable device design.


[260] 2504.18198

Acoustic phonons, spin-phonon coupling and spin relaxation via the lattice reorientation mechanism in hexagonal germanium nanowires

Spin relaxation via electron-phonon interaction is an important decoherence mechanism for spin qubits. In this work, we study spin relaxation in hexagonal (2H) germanium, a novel direct-gap semiconductor showing great potential to combine highly coherent spin qubits with optical functionality. Focusing on electrostatically defined quantum dots in hexagonal germanium nanowires, we (i) identify geometries where spin qubit experiments are feasible, (ii) compute the nanowire phonon modes, and (iii) describe spin relaxation of hole spin qubits due to phonon-induced lattice reorientation, a direct spin-phonon coupling mechanism that is absent in cubic semiconductors typically used for spin qubits (GaAs, cubic Si, cubic Ge). We obtain the spin relaxation time as a function of nanowire cross section, quantum dot confinement length, and magnetic field. For realistic parameters, we find relaxation times above 10 ms, and reveal that the magnetic field direction maximizing the relaxation time depends on the qubit Larmor frequency. Our results facilitate the design of nanowire quantum dot experiments with long qubit relaxation times.


[261] 2504.19604

Step conductance and spin selectivity in a one dimensional tailored conical magnet

Using an S-matrix formulation we evaluate the conductance of a one dimensional free electron gas in double exchange interaction with a classical conical magnet. We find integer conductance steps depending on the energy window of the incoming electrons for conical magnets described by a fictitious magnetic field of different orientations and modulated profile. The conductance windows, that we attribute to potential or diffractive scattering, are characterised by spin selectivity depending on the fictitious magnetic field direction and chirality. Furthermore, we study the conductance of a conical soliton lattice and discuss a rationalization of all the conductance data for an incoming electron with arbitrary spin direction in terms of scattering of an electron with spin along the conical axis.


[262] 2504.20957

A Quieter State of Charge -- Ultra-Low-Noise Collective Current in Charge-Density-Wave Nanowires

Electronic flicker noise limits phase stability in communication systems, reduces the sensitivity and selectivity of sensors, and degrades coherence in quantum devices. There is a strong need for unconventional materials and strategies for achieving ultra-low-noise performance in nanoscale and quantum electronics. Here, we demonstrate that in nanowires of the quasi-one-dimensional, fully gapped charge-density-wave material (TaSe4)2I, low-frequency electronic noise is suppressed below the limit of thermalized charge carriers in passive resistors. When the current is dominated by the sliding Frohlich condensate, the normalized noise spectral density decreases linearly with current, I -- a striking departure from the constant value observed in conventional conductors. No residual minimum noise level is reached for the current of the electron-lattice condensate in (TaSe4)2I nanowires. Repeating the measurements for another charge-density wave conductor, NbS3-II, we found a similar reduction below the normal electron limit at room temperature. Our findings signal intrinsically lower current fluctuations within a correlated electron transport regime.


[263] 2505.11253

Emergent Thermalization Thresholds in Unitary Dynamics of Inhomogeneously Disordered Quantum Systems

Inspired by the avalanche scenario for many-body localization (MBL) instability, we reverse the conventional set-up and ask whether a large weakly-disordered chain can thermalize a smaller, strongly-disordered chain when the composite system evolves unitarily. Using transport as a dynamical probe, we identify three distinct thermalization regimes as a function of the disorder strength of the smaller chain: (i) complete thermalization with self-averaging at weak disorder, (ii) realization-dependent thermalization with strong sample-to-sample fluctuations at intermediate disorder, and (iii) absence of thermalization at strong disorder. We find that for a fixed length of the smaller chain, the non-self-averaging regime broadens with the size of the weakly-disordered chain, revealing a nuanced interplay between disorder and system size. These results highlight how inhomogeneous disorder can induce emergent thermalization thresholds in closed quantum systems, providing direct access to disorder regimes where thermalization or its absence can be reliably observed.


[264] 2505.11419

Lattice models with subsystem/weak non-invertible symmetry-protected topological order

We construct a family of lattice models which possess subsystem non-invertible symmetry-protected topological (SPT) order and analyze their interface modes protected by the symmetry, whose codimension turns out to be more than one. We also propose 2+1d lattice models which belong to two different weak SPT phases distinguished by a combination of translational symmetry and non-invertible symmetry. We show that the interface between them exhibits an exotic Lieb-Schultz-Mattis (LSM) anomaly associated with a modulated symmetry, which cannot be factorized into a direct product of internal and translational symmetries.


[265] 2505.16356

Statistical properties of non-linear observables of fractal Gaussian fields with a focus on spatial-averaging observables and on composite operators

The statistical properties of non-linear observables of the fractal Gaussian field $\phi(\vec x)$ of negative Hurst exponent $H<0$ in dimension $d$ are revisited with a focus on spatial-averaging observables and on the properties of the finite parts $\phi_n(\vec x)$ of the ill-defined composite operators $\phi^n(\vec x) $. For the special case $n=2$ of quadratic observables, explicit results include the cumulants of arbitrary order, the Lévy-Khintchine formula for the characteristic function and the anomalous large deviations properties. The case of observables of arbitrary order $n>2$ is analyzed via the Wiener-Ito chaos-expansion for functionals of the white noise: the multiple stochastic Ito integrals are useful to identify the finite parts $\phi_n(\vec x)$ of the ill-defined composite operators $\phi^n(\vec x) $ and to compute their correlations involving the Hurst exponents $H_n=nH$.


[266] 2506.02192

Impact of the honeycomb spin-lattice on topological magnons and edge states in ferromagnetic 2D skyrmion crystals

Magnons have been intensively studied in two-dimensional (2D) ferromagnetic (FM) skyrmion crystals (SkXs) stabilized on Bravais lattices, particularly triangular and square lattices. In these systems, topological edge states (TESs) have been reported in higher-energy magnon gaps, while the first magnon gap is found to be topologically trivial. In this context, antiferromagnetic (AFM) SkXs on the triangular spin lattice have been considered potentially more interesting for applications, since TESs emerge already in the first magnon gap. Meanwhile, the magnon topology of SkXs stabilized on non-Bravais spin lattices remains largely unexplored. In this work, we theoretically investigate the magnon band structure and TESs in 2D FM SkXs stabilized on the honeycomb spin lattice, including experimentally motivated parameter sets relevant to van der Waals magnets. We show that chiral TESs emerge in the first magnon gap over significant ranges of the Dzyaloshinskii-Moriya interaction and single-ion magnetic anisotropy. Magnetic-field-driven topological phase transitions modify the number of these TESs before eventually trivializing them. In addition, we find that TESs can coexist in the first and higher magnon gaps, which could enable frequency-multiplexed magnonic edge transport. These findings highlight the role of lattice geometry in shaping the magnon topology and edge transport in noncollinear spin textures.


[267] 2506.04885

Tunable spin-phonon polarons in a chiral molecular qubit framework

Chiral structures that produce asymmetric spin-phonon coupling can theoretically generate spin-phonon polarons -- quasiparticles exhibiting non-degenerate spin states with phonon displacements. These quasiparticles are speculated to be the origin of chirality-induced spin selectivity and presumably can display exotic dynamic behaviors. However, direct experimental evidence of spin-phonon polarons has been lacking. Using a chiral molecular qubit framework embedding stable semiquinone-like radicals, we report spin dynamic signatures that indicate the formation of spin-phonon polarons for the first time. Our non-adiabatic model reveals that these quasiparticles introduce an active spin relaxation channel when polaron reorganization energy approaches Zeeman splitting. This new channel manifests itself as anomalous, temperature-independent spin relaxation, which can be suppressed by high magnetic fields or pore-filling solvents (e.g. CH2Cl2, CS2). Such field- and guest-tunable relaxation is unattainable in conventional spin systems. Harnessing this mechanism could boost repetition rates in spin-based quantum information technologies without compromising coherence or quantum sensing performance.


[268] 2506.06224

Finite-temperature entanglement and coherence in asymmetric bosonic Josephson junctions

We investigate the finite-temperature properties of a bosonic Josephson junction composed of N interacting atoms confined by a quasi-one-dimensional asymmetric double-well potential, modeled by the two-site Bose-Hubbard Hamiltonian. We compute numerically the spectral decomposition of the statistical ensemble of states, the thermodynamic and entanglement entropies, the population imbalance, the quantum Fisher information, and the coherence visibility. We analyze their dependence on the system parameters, showing in particular how finite temperature and on-site energy asymmetry affect the entanglement and coherence properties of the system. Moreover, starting from a quantum phase model which accurately describes the system over a wide range of interactions, we develop a reliable description of the strong tunneling regime, where thermal averages may be computed analytically using a modified Boltzmann weight involving an effective temperature. We discuss the possibility of applying this effective description to other models in suitable regimes.


[269] 2506.06365

Consequences of Linear Time-Variant Rheology for Aging, Relaxation, and Creep

Most materials age, and their properties change over time. The aging of materials is reflected in their mechanical responses to external stress and strain, which exhibit logarithmic relaxation and universal power-law creep. Those responses are typically described using complex phenomenological models, including fractional viscoelastic models. While successful at reproducing experimental trends, such approaches often obscure the underlying rheological mechanism and its connection to material parameters. Their physical interpretation remains debated. We introduce jerk-elasticity, a linear time-variant model whose constitutive relations are motivated by thermodynamic principles and experimental observations of the stick-slip-induced friction. The model reproduces the Guiu-Pratt law of logarithmic stress relaxation, Andrade's power-law creep, and a unified description of the three stages of creep, without invoking distributed relaxation times or nonlinear constitutive laws. The rheological parameters of jerk-elasticity are linked with the thermodynamic variables and activation volume. The evolution of activation volume emerges as a physically interpretable measure of aging. Interestingly, viscous and fractional Maxwell responses appear as limiting cases of the jerk-elastic response, thereby offering a unified constitutive interpretation of fractional rheology. Besides, the Mittag-Leffler function gains physical interpretation. The findings are validated by established experimental observations.


[270] 2506.10211

Going beyond density functional theory accuracy: Leveraging experimental data to refine pre-trained machine learning interatomic potentials

Machine learning interatomic potentials (MLIPs) are inherently limited by the accuracy of the training data, usually consisting of energies and forces obtained from quantum mechanical calculations, such as density functional theory (DFT). Since DFT itself is based on several approximations, MLIPs may inherit systematic errors that lead to discrepancies with experimental data. In this paper, we use a trajectory re-weighting technique to refine DFT pre-trained MLIPs to match the target experimental Extended X-ray Absorption Fine Structure (EXAFS) spectra. EXAFS spectra are sensitive to the local structural environment around an absorbing atom. Thus, refining an MLIP to improve agreement with experimental EXAFS spectra also improves the MLIP prediction of other structural properties that are not directly involved in the refinement process. We combine this re-weighting technique with transfer learning and a minimal number of training epochs to avoid overfitting to the limited experimental data. The refinement approach demonstrates significant improvement for two MLIPs reported in previous work, one for an established nuclear fuel: uranium dioxide (UO2) and second one for a nuclear fuel candidate: uranium mononitride (UN). We validate the effectiveness of our approach by comparing the results obtained from the original (unrefined) DFT-based MLIP and the EXAFS-refined MLIP across various properties, such as lattice parameters, bulk modulus, heat capacity, point defect energies, elastic constants, phonon dispersion spectra, and diffusion coefficients. An accurate MLIP for nuclear fuels is extremely beneficial as it enables reliable atomistic simulation, which greatly reduces the need for large number of expensive and inherently dangerous experimental nuclear integral tests, traditionally required for the qualification of efficient and resilient fuel candidates.


[271] 2506.17548

Toward a Circular Nanotechnology for Biofuels: Integrating Sustainable Synthesis, Recovery, and Performance Optimization

This review exhaustively evaluates the role of nanomaterials across the synthesis, characterization and application stages of biofuel systems. Common types of nanomaterials that are used for biofuel applications include metal oxides, carbon-based structures, and hybrids, which are evaluated for their effectiveness in efficient biofuel production. The properties of such nanomaterials are being utilized as an aid to produce biofuels through improved catalysis, enzyme immobilization and thermal stability. Common synthesis methods, such as sol-gel, coprecipitation, and green synthesis, are compared, alongside characterization tools, such as TEM, SEM, FTIR, and BET. This study focuses on transesterification, biomass pretreatment, and fermentation processes, where nanomaterials significantly improve yield and reusability. There are several challenges, despite the merits of using nanomaterials, and the trade-offs include cost, scalability, and environmental impact, which further expand into evaluating the life cycle of such materials. This review outlines the practical potential of nanomaterials in enabling efficient and sustainable biofuel production.


[272] 2506.18969

Bootstrapping Flat-band Superconductors: Rigorous Lower Bounds on Superfluid Stiffness

The superfluid stiffness fundamentally constrains the transition temperature of superconductors, especially in the strongly coupled regime. However, accurately determining this inherently quantum many-body property in microscopic models remains a significant challenge. In this work, we show how the \textit{quantum many-body bootstrap} framework, specifically the reduced density matrix (RDM) bootstrap, can be leveraged to obtain rigorous lower bounds on the superfluid stiffness in frustration-free interacting models with superconducting ground state. We numerically apply the method to a special class of frustration free models, which are known as quantum geometric nesting models, for flat-band superconductivity, where we uncover a general relation between the stiffness and the pair mass. Going beyond the familiar Hubbard case within this class, we find how additional interactions, notably simple magnetic couplings, can enhance the superfluid stiffness. Furthermore, we find that the RDM bootstrap unexpectedly reveals that the trion-type correlations are essential for bounding the stiffness, offering new insights on the structure of these models. A straightforward generalization of the method can lead to bounds on susceptibilities complementary to variational approaches. Our findings underscore the immense potential of the quantum many-body bootstrap as a powerful tool to derive rigorous bounds on physical quantities beyond energy.


[273] 2507.04926

Variational Approach to the Snake Instability of a Bose-Einstein Condensate Soliton

Solitons are striking manifestations of nonlinearity, encountered in diverse physical systems such as water waves, nonlinear optics, and Bose-Einstein condensates (BECs). In BECs, dark solitons emerge as exact stationary solutions of the one-dimensional Gross-Pitaevskii equation. While they can be long-lived in elongated traps, their stability is compromised in higher dimensions due to the snake instability, which leads to the decay of the soliton into vortex structures among other excitations. We investigate the dynamics of a dark soliton in a Bose-Einstein condensate confined in an anisotropic harmonic trap. Using a variational ansatz that incorporates both the transverse bending of the soliton plane and the emergence of vortices along the nodal line, we derive equations of motion governing the soliton's evolution. This approach allows us to identify stable oscillation modes as well as the growth rates of the unstable perturbations. In particular, we determine the critical trap anisotropy required to suppress the snake instability. Our analytical predictions are in good agreement with full numerical simulations of the Gross-Pitaevskii equation.


[274] 2507.10762

Marginal Metals and Kosterlitz-Thouless Type Phase Transition in Disordered Altermagnets

Altermagnetism, a recently discovered magnetic phase characterized by spin-split bands without net magnetization, has emerged as promising platform for novel physics and potential applications. However, its stability against disorder-ubiquitous in real materials-remains poorly understood. Here, we study the electron localization properties of two-dimensional $d$-wave altermagnets subject to disorder. Remarkably, we discover a disorder-driven phase transition from a marginal metallic phase to an insulator, which falls into the Kosterlitz-Thouless class. We demonstrate this by strong numerical evidence and propose an interpretation in terms of vortex-antivortex pairs in the disorder-induced local in-plane spin magnetization. Moreover, we show that the characteristic spin anisotropy of altermagnets persists but gradually fades away across the transition. These changes directly affect the spin splitting features that are detectable in angle-resolved photoemission spectroscopy and tunneling magnetoconductance. Our findings provide a new perspective on recent experimental observations of altermagnetism in candidate materials.


[275] 2507.12193

Emergent Symmetry and Phase Transitions on the Domain Wall of $\mathbb{Z}_{2}$ Topological Orders

The one-dimensional (1D) domain wall of 2D $\mathbb{Z}_{2}$ topological orders is studied theoretically. The Ising domain wall model is shown to have an emergent SU(2)$_{1}$ conformal symmetry because of a hidden nonsymmorphic octahedral symmetry. While a weak magnetic field is an irrelevant perturbation to the bulk topological orders, it induces a domain wall transition from the Tomonaga-Luttinger liquid to a ferromagnetic order, which spontaneously breaks the anomalous $\mathbb{Z}_{2}$ symmetry and the time-reversal symmetry on the domain wall. Moreover, the gapless domain wall state also realizes a 1D topological quantum critical point between a $\mathbb{Z}_{2}^{T}$-symmetry-protected topological phase and a trivial phase, thus demonstrating the holographic construction of topological transitions.


[276] 2507.17751

Perturbative renormalization group approach to magic-angle twisted bilayer graphene using topological heavy fermion model

We develop a perturbative renormalization group (RG) theory for the topological heavy fermion (THF) model, describing magic-angle twisted bilayer graphene (MATBG) as an emergent Anderson lattice. Our theory focuses on an energy window where the interactions can be treated perturbatively within the THF model, providing insights into the low-energy physics. In particular, the realistic parameters place MATBG near an intermediate regime where the Hubbard interaction $U$ and the hybridization energy $\gamma$ are comparable, motivating the need for RG analysis. Our approach analytically tracks the flow of single-particle parameters and Coulomb interactions within an energy window below $0.1$ eV, providing implications for distinguishing between Kondo-like ($U\gg \gamma$) and projected-limit/Mott-semimetal ($U\ll \gamma$) scenarios at low energies. We show that the RG flows generically lower the ratio $U/\gamma$ and drive MATBG toward the chiral limit, consistent with the previous numerical study based on the Bistritzer-MacDonald model. The framework presented here also applies to other moiré systems and stoichiometric materials that admit a THF description, including magic-angle twisted trilayer graphene, twisted checkerboard model, and Lieb lattice, among others, providing a foundation for developing low-energy effective theories relevant to a broad class of topological flat-band materials.


[277] 2508.07712

Doping $S=1$ antiferromagnet in one-dimension

Antiferromagnetic ground states, when doped, give rise to rich and complex phenomena, prompting detailed investigations in various spin systems. Here, we study the effect of doping on the one-dimensional $S = 1$ antiferromagnetic Heisenberg model (AFM). Specifically, we investigate how the presence of holes affects the static and dynamic (frequency-dependent) spin-spin correlations of the two-orbital Hubbard-Kanamori chain. The latter, at half-filling and in the strong-interaction limit, maps onto an $S = 1$ Heisenberg model. For moderate interactions, an orbital resonating-valence-bond (orbital-RVB) state emerges up to doping levels of $x \lesssim 0.3$. A detailed analysis of interaction strength $U$ and doping concentration $x$ reveals that this phase inherits the key features of spin excitations found in the half-filled case -- namely, a gapped spin spectrum and ``coherent'' magnon behavior up to a wavevector $q$ determined by the Fermi vector, $2k_\mathrm{F} = \pi(1 - x)$. Furthermore, our results uncover an additional broad, incoherent spectral weight for $q \gtrsim 2k_\mathrm{F}$ at high frequencies. Finally, we show that near the transition to a ferromagnetic phase, a previously unidentified spiral-like state emerges, characterized by spin excitations reminiscent of the $J_1$-$J_2$ Heisenberg model.


[278] 2508.11405

Realistic modelling of transport properties at finite temperature in magnetic materials by local quantization of a Heisenberg model

The quantitative description of the electrical resistivity of a magnetic material remains challenging to this day. Qualitatively, it is well understood that the temperature-induced lattice and spin disorder determines the temperature dependence of the resistivity. While prior publications reached good agreement with experiment in the so-called supercell or direct approach for non-magnetic materials where the spin-disorder contribution to the resistivity is negligible, an accurate, purely theoretical description of magnetic materials remains elusive. This shortcoming can be attributed to the missing accuracy in the description of the temperature-dependent spin-disorder itself. In this work, we employ a joint approach from \textit{ab-initio} transport calculations and atomistic modeling of the temperature-dependent spin-disorder. Using the example of $\alpha$-Fe, we demonstrate that the inclusion of quantum mechanical effects using a semiclassical local quantization of the Heisenberg model significantly improves the description of the spin-disorder component to the electrical resistivity. Compared to previous approaches, this model includes the description of magnetic short-range order effects, enabling us to study temperature effects around and above the Curie temperature, where prior mean-field theory-based approaches inevitably predicted a constant contribution.


[279] 2508.15104

Interfacially arrested melting in thin films: capillarity-driven suspension of phase transitions

Melting is typically viewed as a bulk first-order phase transition that proceeds once nucleation barriers are overcome. Here we demonstrate an interfacially arrested melting regime in molecularly thin crystalline films, where large liquid droplets remain stably trapped well above the bulk melting temperature. Using long-chain alkane films as a model system, we show that melting is suspended by the competition between bulk melting enthalpy and interfacial energy costs associated with capillary confinement. The arrested state is governed by a single control parameter, the product of temperature offset and film thickness, and is independent of droplet size. As a consequence, small temperature variations produce pronounced and reversible changes in droplet morphology, enabling intrinsic thermodynamic amplification of thermal signals. These results reveal a general mechanism by which interfacial constraints can arrest first-order phase transitions in thin films.


[280] 2508.21093

Floquet-engineered moire quasicrystal patterns of ultracold Bose gases in twisted bilayer optical lattices

We investigate the formation of moire quasicrystal patterns in Bose gasses confined in twisted bilayer optical lattices via Floquet-engineered intralayer atomic interactions. Dynamical evolutions of the total density wave amplitude exhibit the stage for the emergence of moire quasicrystal patterns, where the pattern formation is closely associated with the momenta of collective modes excited by the weak periodic drive. Through analyzing the radial and angular density wave amplitude, we find that these new collective modes are only coupled radially and cannot be decoupled eventually. The symmetry of quasicrystal patterns can be easily manipulated by the modulation frequencies and amplitudes. Reducing the frequencies and increasing the amplitudes can both facilitate lattice symmetry breaking and the subsequent emergence of rotational symmetry. Notably, a twelve-fold quasicrystal pattern emerges under specific parameters, closely resembling the moire quasicrystal in twisted bilayer graphene. The momentum-space distributions also exhibit high rotational symmetry, which is consistent with the real-space patterns at specific evolution times. Our findings establish a new quantum platform for exploring quasicrystals and their symmetry properties in ultracold bosonic systems.


[281] 2509.01227

Effective diffusion of Brownian motion in spatially quasi-periodic noise

The effective diffusion of Brownian particles in periodic potential has been a central topic in nonequilibrium statistical physcis. A classical result is the Lifson formula which provides the effective diffusion constant in periodic potentials. Extending beyong periodicity, our recent work [arXiv:2504.16527] has demonstrated that a modified Lifson expression remains valid for Brownian motion in quasi-periodic potentials. In this work, we extend our previous results by incorporating spatial quasi-periodic noise and examining different stochastic interpretations, $\alpha\in[0,1]$. The proposed framework is simple, computationally efficient, and unifies the treatment of diffusion in both periodic and quasi-periodic systems.


[282] 2509.13146

Electro-viscoelasticity of polymer melts in continuum theory

Electro-viscoelastic polymers have been studied experimentally for the past century, primarily for manufacturing purposes; however, the mechanisms governing their behavior in combined flow and electric fields remain poorly understood. To address this, we model charged polymers across scales. We extend the Rouse model to include charge density along the polymer chain and ambient electric fields, deriving the shear stress under homogeneous shear and electric fields. Viscosity exhibits anisotropic enhancement dependent on field-flow orientation with a scaling factor dependent on a charge sequence relaxation time, dielectric constant, and quadratic electric field term. These results inform a new continuum model--the upper-convected electro-Maxwell (UCEM) model--resembling an upper-convected Maxwell model with polarization stresses expressed through an electric field dyadic subject to upper-convected time derivatives. Coarse-grained molecular dynamics simulations of Kremer-Grest chains with charge sequences reveal distinct relaxation timescales for overall chain dynamics versus charge redistribution, manifested in shear and normal stress responses. Critically, upper-convected time derivatives of the electric field dyadic reproduce the viscosity scaling observed in both the Rouse and MD results; while standard continuum formulations without these terms fail to capture the scaling. Analysis of the dynamic rheological properties show that the phase shift is unaffected by the electric field, in agreement with recent PMMA experiments.


[283] 2509.17135

Probing the quantum metric of 3D topological insulators

The surface states of 3D topological insulators possess geometric structures that imprint distinctive signatures on electronic transport. A prime example is the Berry curvature, which controls, for instance, electric frequency doubling via its higher order moments. In addition to the Berry curvature, topological surface states are expected to exhibit a nontrivial quantum metric, which plays a key role in governing nonlinear magnetotransport. However, its manifestation has yet to be experimentally observed and controlled in 3D topological insulators. Here, we provide evidence for a nonlinear response activated by the quantum metric of the topological surface states of Sb$_2$Te$_3$. We measure a time-reversal odd, nonlinear magnetoresistance that is independent from the temperature and the scattering time below 30 K, and is thus of intrinsic geometrical origin. This quantum metric magnetoresistance can be controlled by tuning the contributions of the top and bottom topological surface states by voltage gating. Our measurements thus demonstrate the existence and tunability of quantum geometry-induced transport in topological phases of matter and provide strategies for designing novel functionalities in topological devices.


[284] 2509.19440

There and Back Again: A Gauging Nexus between Topological and Fracton Phases

Coupled layer constructions are a valuable tool for capturing the universal properties of certain interacting quantum phases of matter in terms of the simpler data that characterizes the underlying layers. In the study of fracton phases, the X-Cube model in 3+1D can be realized via such a construction by starting with a stack of 2+1D Toric Codes and turning on a coupling which condenses a composite "particle-string" object. In a recent work [Phys. Rev. B 112, 125124 (2025)], we have demonstrated that in fact, the particle-string can be viewed as a symmetry defect of a topological 1-form symmetry. In this paper, we study the result of gauging this symmetry in depth. We unveil a rich gauging web relating the X-Cube model to symmetry protected topological (SPT) phases protected by a mix of subsystem and higher-form symmetries, subsystem symmetry fractionalization in the 3+1D Toric Code, and non-trivial extensions of topological symmetries by subsystem symmetries. Our work emphasizes the importance of topological symmetries in non-topological, geometric phases of matter.


[285] 2509.21374

Transfer tensor analysis of localization in the Anderson and Aubry-André-Harper models

We use the transfer tensor method to analyze localization and transport in simple disordered systems, specifically the Anderson and Aubry-André-Harper models. Emphasis is placed on the memory effects that emerge when ensemble-averaging over disorder, even when individual trajectories are strictly Markovian. We find that transfer tensor memory effects arise to remove fictitious terms that would correspond to redrawing static disorder at each time step, which would create a temporally uncorrelated dynamic disorder. Our results show that while eternal memory is a necessary condition for localization, it is not sufficient. We determine that signatures of localization and transport can be found within the transfer tensors themselves by defining a metric called "outgoing-pseudoflux". This work establishes connections between theoretical research on dynamical maps and Markovianity and localization phenomena in physically realizable model systems.


[286] 2510.00653

Energy density driven ultrafast electronic excitations in a cuprate superconductor

Controlling nonequilibrium dynamics in quantum materials requires ultrafast probes with spectral selectivity. We report femtosecond reflectivity measurements on the cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ using free-electron laser extreme-ultraviolet (23.5--177~eV) and near-infrared (1.5~eV) pump pulses. EUV pulses access deep electronic states, while NIR light excites valence-band transitions. Despite these distinct channels, both schemes produce nearly identical dynamics: above $T_c$, excitations relax through fast (100--300~fs) and slower (1--5~ps) channels; below $T_c$, a delayed component signals quasiparticle recombination and condensate recovery. We find that when electronic excitations are involved, the ultrafast response is governed mainly by absorbed energy rather than by the microscopic nature of the excitation. In contrast, bosonic driving in the THz or mid-infrared produces qualitatively different dynamics. By demonstrating that EUV excitation of a correlated superconductor yields macroscopic dynamics converging with those from optical pumping, this work defines a new experimental paradigm: FEL pulses at core-level energies provide a powerful means to probe and control nonequilibrium electronic states in quantum materials on their intrinsic femtosecond timescales. This establishes FEL-based EUV pumping as a new capability for ultrafast materials science, opening routes toward soft X-ray and attosecond studies of correlated dynamics.


[287] 2510.03159

Slow dynamics from a nested hierarchy of frozen states

We identify the mechanism of slow heterogeneous relaxation in quantum kinetically constrained models (KCMs) in which the potential energy strength is controlled by a coupling parameter. The regime of slow relaxation includes the large-coupling limit. By expanding around that limit, we reveal a \emph{nested hierarchy} of states that remain frozen on time scales determined by powers of the coupling. The classification of such states, together with the evolution of their Krylov complexity, reveals that these time scales are related to the distance between the sites where facilitated dynamics is allowed by the kinetic constraint. While correlations within frozen states relax slowly and exhibit metastable plateaus that persist on time scales set by powers of the coupling parameter, the correlations in the rest of the states decay rapidly. We compute the plateau heights of correlations across all frozen states up to second-order corrections in the inverse coupling. Our results explain slow relaxation in quantum KCMs and elucidate dynamical heterogeneity by relating the relaxation times to the spatial separations between the active regions.


[288] 2510.05629

From High-Entropy Ceramics (HECs) to Compositionally Complex Ceramics (CCCs) and Beyond

Over the past decade, the field of high-entropy ceramics (HECs) has expanded rapidly to encompass a broad range of oxides, borides, silicides, and other ceramic solid solutions. In 2020, we proposed extending HECs to compositionally complex ceramics (CCCs), where non-equimolar compositions and the presence of long- or short-range order, although reducing configurational entropy, create new opportunities to tailor and enhance properties, often surpassing those of higher-entropy counterparts. Along these lines, several fundamental scientific questions arise. Is the entropy in HECs truly high? Is maximizing entropy always desirable? In this perspective article, I revisit key concepts and terminologies and highlight emerging directions, including dual-phase CCCs, ultrahigh-entropy phases, and novel processing routes such as ultrafast reactive sintering. I propose that exploring compositional complexity across vast non-equimolar spaces, together with exploiting correlated disorder (coupled chemical and structural short-range order), represents a transformative strategy for designing ceramics with superior performance.


[289] 2510.07353

General expression for the energy and the equation of state for polycrystalline solids

On the basis of the extended classical elasticity theory, we propose universal semi-empirical analytical expressions for the energy and the equation of state for poly-crystalline solids. The validation of the relations has been made by means of first principle density functional theory simulations with the use of pseudo-potential approach and generalized gradient approximation for the exchange-correlation energy. The calculations performed for a large number of inorganic crystalline compounds with metal, covalent and ionic bonding (including diamond, Mg, sphalerite, B, magnesium carboboride, topaz, rocksalt, etc.) within the pressure range up to 300 GPa demonstrated an excellent agreement with the predictions of the analytical theory comparable in accuracy with Birch-Murnaghan approach.


[290] 2510.07574

Controlling the Spin-Wave Nonreciprocity of a Crescent-Shaped Nanowire via Curvature and Magnetic Field

Recent studies on spin-wave propagation in ferromagnetic waveguides has highlighted the role of nonreciprocity resulting from the chiral nature of dipolar interactions in curved elements. However, the impact of spin-wave mode type on nonreciprocity remains unexplored. Using micromagnetic simulations supported by analytical modeling, we systematically analyzed the propagation of edge, fundamental, and width-quantized spin-wave modes in a ferromagnetic nanowire with a crescent-shaped cross-section. Our results show that the strength and sign of nonreciprocity depend on the mode type, as well as on the curvature magnitude of the nanowire's top and bottom surfaces and the strength of the external magnetic field. Interestingly, changing the mode type, for instance induced by altering the curvature or magnetic field, result in a significant change in the dispersion relation asymmetry. This effect underscores the important role of spin-wave profiles in nonreciprocity, deepens our fundamental understanding of spin-wave dynamics in curved geometries, and paves the way for designing magnonic waveguides with tailored properties.


[291] 2510.07893

Decoherence of Majorana zero modes mediated by gapless fermions

We study the decoherence of a collection of Majorana zero modes weakly coupled to a gapless reservoir of non-interacting fermions. Using the Born-Markov approximation, we derive a Lindblad master equation for the dissipative dynamics of the Majorana zero modes. Due to the long-range coupling between Majorana zero modes mediated by the gapless reservoir, the Lindblad jump operators are non-local linear combinations of the Majorana operators. We show that, as a consequence, the dissipative dynamics can exhibit long relaxation times, i.e. a slow decay of fermion parities. A spectral analysis of the Liouvillian shows that the slow-down is suppressed as a power law of the distance between Majorana zero modes. Finally, we validate the Lindblad equation by comparison with unbiased numerical simulations of the time evolution of the full density matrix. In particular, these illustrate that non-Markovian dynamics establishes non-local correlations at small times.


[292] 2510.09264

Consistent gauge theories for the slave particle representation of the strongly correlated $t$-$J$ model

We aim to clarify the confusion and inconsistency in our recent works [1,2], and to address the incompleteness therein. In order to avoid the ill-defined nature of the free propagator of the gauge field in the ordered states of the $t$-$J$ model, we adopted a gauge fixing that was not of the Becchi-Rouet-Stora-Tyutin (BRST) exact form in our previous work [2]. This led to the situation where Dirac's second-class constraints, namely, the slave particle number constraint and the Ioffe-Larkin current constraint, were not rigorously obeyed. Here we show that a consistent gauge fixing condition that enforces the exact constraints is BRST-exact in our theory. An example is the Lorenz gauge. On the other hand, we prove that although the free propagator of the gauge field in the Lorenz gauge is ill-defined, the full propagator is still well-defined. This implies that the strongly correlated $t$-$J$ model can be exactly mapped to a perturbatively controllable theory within the slave particle representation.


[293] 2510.16874

New perspective on symmetry breaking in a clean antiferromagnetic chain: Spin-selective transport and NDR phenomenon

The primary requirement for achieving spin-selective electron transfer in a nanojunction possessing a magnetic system with zero net magnetization is to break the symmetry between the up and down spin sub-Hamiltonians. Circumventing the available approaches, in the present work, we put forward a new mechanism for symmetry breaking by introducing a bias drop along the functional element. To demonstrate this, we consider a clean magnetic chain with antiparallel alignment of neighboring magnetic moments. The junction is modeled within a tight-binding framework, and spin-dependent transmission probabilities are evaluated using wave-guide theory. The corresponding current components are obtained through the Landauer-Büttiker formalism. Selective spin currents, exhibiting a high degree of spin polarization, are obtained over a wide bias region. Moreover, the bias-dependent transmission profile exhibits negative differential resistance (NDR), another important aspect of our study. We examine the results under three different potential profiles, one linear and two non-linear, and in each case, we observe a favorable response. This work may offer a new route for designing efficient spintronic devices based on bias-controlled magnetic systems with vanishing net magnetization.


[294] 2510.18086

Highly efficient quantum Stirling engine using multilayer Graphene

In this work, quantum Stirling engines based on monolayer, AB-stacked bilayer, and ABC-stacked trilayer graphene under perpendicular magnetic fields are analyzed. Performance maps of the useful work \((\eta W)\) reveal a robust optimum at low magnetic fields and moderately low temperatures, with all stackings capable of reaching Carnot efficiency under suitable configurations. The AB bilayer achieves this across the broadest parameter window while sustaining finite work, the monolayer exhibits highly constrained regimes, and the trilayer shows smoother trends with sizable \(\eta W\). These results identify multilayer graphene, particularly the AB bilayer, as a promising platform for efficient Stirling engines, while also highlighting the versatility of the monolayer in realizing all four operational regimes of the Stirling cycle.


[295] 2510.18602

Defect Landscape of Orthorhombic Ba$_2$In$_2$O$_5$ from First-Principles Calculations: The Role of Oxygen Interstitials

The brownmillerite-type oxide barium indate (Ba$_2$In$_2$O$_5$, BIO) is a potential electrolyte for mixed ionic-electronic conduction in solid oxide fuel cells. Despite its structural relation to perovskite oxides, the defect chemistry of BIO has remained largely unexplored. Using Density Functional Theory within the generalized gradient approximation, complemented by selected hybrid functional calculations, we evaluate the formation energies, charge transition levels, and concentrations as a function of oxygen partial pressure of vacancies, oxygen interstitials, and Frenkel pairs. Our results reveal that oxygen vacancies and interstitials dominate the intrinsic defect landscape. Among the interstitials, we identify stable dumbbell configurations that remain neutral across the entire band gap. Other interstitial configurations show charged states and become the prevailing compensating defect with oxygen vacancies at high oxygen partial pressures. These results provide a consistent picture of the thermodynamics of intrinsic defects in BIO, setting the stage for future investigations into the diffusion dynamics of oxygen vacancies and interstitials.


[296] 2510.21634

Identification of 2D colloidal assemblies in images: a threshold processing method versus machine learning

This paper is devoted to the problem of identification of colloidal assemblies using the example of two-dimensional coatings (monolayer assemblies). Colloidal systems are used in various fields of science and technology, for example, in applications for photonics and functional coatings. The physical properties depend on the morphology of the structure of the colloidal assemblies. Therefore, effective identification of particle assemblies is of interest. The following classification is considered here: isolated particles, dimers, chains and clusters. We have studied and compared two identification methods: image threshold analysis using the OpenCV library and machine learning using the YOLOv8 model as an example. The features and current results of training a neural network model on a dataset specially prepared for this work are described. A comparative characteristic of both methods is given. The best result was shown by the machine learning method (97% accuracy). The threshold processing method showed an accuracy of about 67%. The developed algorithms and software modules may be useful to scientists and engineers working in the field of materials science in the future.


[297] 2510.24086

Single impurity atom embedded in a dipolar two-soliton molecule as a qubit

We consider a single impurity atom trapped in a double well (DW) potential created by a dipolar two-soliton molecule in a quasi-one-dimensional geometry. By solving the eigenvalue problem for the impurity atom in the DW potential, we find that its ground and first excited states are well separated from higher excited states. This allows it to be approximated by a desirable two-level quantum system. Numerical simulations of the Schrödinger equation, governing impurity atom, demonstrate periodic oscillations in the probability of finding the impurity confined either to the ``left" or to the ``right" side of the DW potential. An analytic expression for the coherent oscillations of the population imbalance between the two wells of the DW potential has been derived using the two-mode approximation. Theoretical predictions of the mathematical model are in good agreement with the results of numerical simulations. Potential usage of the developed setup as a physical realization of ``qubit" has been discussed.


[298] 2510.24177

Vector Nematodynamics with Symmetry-driven Energy Exchange

We review inadequacy of existing nematodynamic theories and suggest a novel way of establishing relations between nematic orientation and flow based on the \emph{local} symmetry between simultaneous rotation of nematic alignment and flow, which establishes energy exchange between the the two without reducing the problem to near-equilibrium conditions and invoking Onsager's relations. This approach, applied in the framework of the vector-based theory with a variable modulus, involves antisymmetric interactions between nematic alignment and flow and avoids spurious instabilities in the absence of an active inputs.


[299] 2510.24404

Skyrmion-vortex pairing and vortex-drag induced Skyrmion Hall effect

An interaction between ferromagnetic and superconducting orders, to be realized in a two dimensional ferromagnetic superconductor, is proposed obeying necessary symmetry principles. This interaction allows us to formulate a duality, similar to the Boson-vortex duality in 2+1 dimensional superfluid. In the dual theory the Skyrmion and the vortex excitations interact with each other via an emergent gauge field. The static interaction potential is attractive for a Skyrmion and a vortex with opposite topological charges. This interaction can lead to formation of bound pairs of the mentioned topological excitations. Furthermore, we argue that such pairing implies that a Magnus force acting on the vortex induces a transverse, Hall-like drift motion of the Skyrmion, which we term the vortex-drag induced Skyrmion Hall effect. Possible experimental manifestations of this effect are also discussed.


[300] 2510.24712

Memory-induced long-range order drag

Recent research has shown that memory, in the form of slow degrees of freedom, can induce a phase of long-range order (LRO) in locally-coupled fast degrees of freedom, producing power-law distributions of avalanches. In fact, such memory-induced LRO (MILRO) arises in a wide range of physical systems. Here, we show that MILRO can be transferred to coupled systems that have no memory of their own. As an example, we consider a stack of layers of spins with local feedforward couplings: only the first layer contains memory, while downstream layers are memory-free and locally interacting. Analytical arguments and simulations reveal that MILRO can indeed drag across the layers, enabling downstream layers to sustain intra-layer LRO despite having neither memory nor long-range interactions. This establishes a simple, yet generic mechanism for propagating collective activity through media without fine tuning to criticality, with testable implications for neuromorphic systems and laminar information flow in the brain cortex.


[301] 2510.25849

Insights into the adhesion and delamination strength of carbon films on metals by high-throughput ab initio calculations

Diamond and diamond-like carbon (DLC) coatings are widely employed for their exceptional mechanical, thermal and chemical properties, but their industrial application is often limited by weak adhesion to metallic substrates. In this work, we employ a high-throughput ab initio approach to systematically investigate the adhesion of diamond/metal interfaces, combining a set of technologically relevant metals (Al, Ag, Au, Cr, Cu, Fe, Ir, Mg, Mo, Pt, Rh, Ti, V, W, Zn) with the C(111), C(111)-2x1 (Pandey reconstructed), C(110), C(100) surfaces, that are most common in diamond and are representative of different types of bonds present in DLC. Thanks to our automated and accurate computational protocol for interface construction and characterization, databases are populated and relevant trends are identified on the effect of surface graphitization, ability to form carbides and metal reactivity on carbon film adhesion and delamination strength. Beyond capturing trends, our workflow yields predictive insights. Indeed, we found that adhesion energy scales with the geometric mean of the constituent surface energies, providing a simple descriptor for rapid screening; while comparing the work of separation with the metal's cohesive energy anticipates the fracture location under tensile loading. A novel method based on the radial distribution function g(r) analysis is introduced to identify when contact with a metal drives rehybridization of surface carbon from sp2 to sp3, the structural signature of improved resistance to delamination. These structural changes are mirrored by an electronic rearrangement at the interface, quantified by a charge-redistribution descriptor that strongly correlates with adhesion.


[302] 2510.27115

Kink in Stoner Factor as a Signature of Changing Magnetic Fluctuations in the Organic Conductor $λ$-(BETS)$_2$GaCl$_4$

In this study, we theoretically investigated the magnetic properties of the quasi-two-dimensional organic conductor $\lambda$-(BETS)$_2$GaCl$_4$ using a multi-band Hubbard model and the two-particle self-consistent method. We employed a four-band model in which each BETS molecule is considered as a site and a two-band model that considers each BETS dimer as a site. Our results for the temperature dependence of the Stoner factor reveal a kink around $T_\mathrm{kink} \approx 5 \mathrm{meV}$, which indicates a change in the dominant magnetic fluctuations. A broad structure indicating smeared antiferromagnetic (AFM) fluctuations was observed above $T_\mathrm{kink}$, whereas the spin susceptibility peaked at a wavevector corresponding to spin-density-wave (SDW)-like fluctuations below $T_\mathrm{kink}$. The kink disappears as the intra-dimer transfer integral increased and the AFM fluctuations were enhanced. Our findings are consistent with those of previous experimental observations, which have also reported a change in magnetic properties from AFM to SDW-like fluctuations upon cooling.


[303] 2511.09358

Tree-Graph Based Construction of Quantum Spin Models with Exact Ground State

We propose a protocol to generate an antiferromagnetic S=1/2 Heisenberg model with the exact ground state based on a tree graph. The generated model has a correspondence with a tree graph and possesses the product state of singlet dimers as its unique ground state. A procedure for constructing a model with exact, massively degenerate ground states is also introduced.


[304] 2511.11547

Coherent-state path integrals in quantum thermodynamics

In these notes, we elucidate some subtle aspects of coherent-state path integrals, focusing on their application to the equilibrium thermodynamics of quantum many-particle systems. These subtleties emerge when evaluating path integrals in the continuum, either in imaginary time or in Matsubara-frequency space. Our central message is that, when handled with due care, the path integral yields results identical to those obtained from the canonical Hamiltonian approach. We illustrate this through a pedagogical treatment of several paradigmatic systems: the bosonic and fermionic harmonic oscillators, the single-site Bose-Hubbard and Hubbard models, the weakly-interacting Bose gas with finite-range interactions, and the BCS superconductor with finite-range interactions.


[305] 2511.13667

Quantum complexity across thermal phase transition in the transverse field Ising chain with long-range couplings

We investigate the behavior of the Schmidt gap, the von Neumann entanglement entropy, and the non-stabiliserness in proximity to the classical phase transition of the one-dimensional long-range transverse-field Ising model (LRTFIM). Leveraging the time-dependent variational principle (TDVP) within a tensor-network formulation, we simulate thermal states through their purified tensor-network representations. Our results show that these observables, typically regarded as hallmarks of quantum criticality, exhibit pronounced and coherent signatures even at a classical thermal transition, highlighting the emergence of quantum complexity as the system nears thermal criticality.


[306] 2511.15939

Noise-induced resonant acceleration of a charge in an intermittent magnetic field: an exact solution for ergodic and non-ergodic fluctuations

We study the diffusion of a charged particle in a magnetic field subject to stochastic dichotomous fluctuations. The associated induced electric field gives rise to non-trivial dynamical regimes. In particular, when the mean magnetic field vanishes, the particle remains confined within a finite radius, regardless of the fluctuation statistics. For a non-zero mean field, we show, using a density approach for Poissonian fluctuations, that the particle undergoes an exponential regime of accelerated diffusion. Crucially and more generally, adopting a trajectory-based formalism, we derive an exact analytical solution valid for arbitrary waiting-time distributions, including non-Poissonian and non-ergodic cases. Even rare, abrupt field reversal are shown to trigger exponential acceleration of the particle's diffusion. We demonstrate that this behaviour stems from noise exciting resonance bands present for periodic fluctuations, and we propose noise-induced resonant acceleration as a robust and efficient charge acceleration mechanism, potentially more effective than Fermi's classic model for cosmic acceleration.


[307] 2511.20776

Strong-coupling theory of bilayer plasmon excitations

Recently plasmon excitations in bilayer lattice systems were studied extensively in the weak-coupling regime. Unlike single-layer systems, these bilayers exhibit two distinct modes, $\omega_{\pm}$, which show characteristic dependences upon the momentum and hopping integrals along the $z$ direction. To apply them to cuprates, strong correlation effects should be considered, but a comprehensive analysis has not yet been investigated. In this work, we present a strong-coupling theory to analyze the charge dynamics of a bilayer system, utilizing the $t$-$J$-$V$ model, which includes the long-range Coulomb interaction, $V$, on a lattice. Although our theoretical framework is fundamentally different from the weak-coupling approach, we find that resulting plasmon excitations are similar to those of a weak-coupling theory. A key distinction is that our strong-coupling framework reveals a noticeable suppression of particle-hole excitations, which allows the plasmon modes to remain well-defined over a wider region of momentum. We suggest that the experimentally reported plasmon excitations in Y-based cuprates can be described by the $\omega_{-}$ mode, although we call for more systematic experiments to verify this.


[308] 2512.02948

Universality Diagram of Phase Transitions in Long-range Statistical Systems

The percolation, Ising, and O($n$) models constitute fundamental systems in statistical and condensed matter physics. For short-range-interacting cases, the nature of their phase transitions is well established by renormalization-group theory. However, the universality of the transitions in these models remains elusive when algebraically decaying long-range interactions $\sim 1/r^{d+\sigma}$ are introduced, where $d$ is the dimensionality and $\sigma$ is the decay exponent. Building upon insights from Lévy flight, i.e., long-range simple random walk, we propose three universality diagrams in the $(d,\sigma)$ plane for the percolation model, the O($n$) model, and the Fortuin-Kasteleyn Ising model, respectively. The conjectured universality diagrams are consistent with recent high-precision numerical studies and rigorous mathematical results, offering a unified perspective on critical phenomena in systems with long-range interactions.


[309] 2512.04656

Collective cluster nucleation dynamics in quantum magnets

Strongly interacting many-body systems exhibit collective properties that emerge from complex correlations among microscopic degrees of freedom. These cooperative phenomena govern the non-equilibrium response of quantum systems, with relevance ranging from condensed matter physics to quantum field theories describing fundamental aspects of our universe. Understanding such emergent dynamics from first principles remains one of the central challenges in quantum many-body physics. Here we report on the observation of collective cluster nucleation dynamics following quenches in 2D ferromagnetic quantum Ising systems implemented in an atomic Rydberg array. Our experiments reveal two distinct regimes: In the confined regime, we observe an energy-dependent cluster size, revealing large collective clusters exceeding ten spins. In contrast, the deconfined regime is characterized by kinetically constrained, avalanche-like nucleation dynamics involving the entire system. Our findings establish a new frontier for quantum simulations with Rydberg arrays, enabling controlled exploration of non-equilibrium phenomena previously out of reach. Beyond advancing experimental capabilities, they provide fundamental insights into highly correlated processes with implications that reach from quantum magnetism and glassy dynamics to cosmological models of the early universe.


[310] 2512.04681

Robust, fast, and efficient formation of stable tetratomic molecules from ultracold atoms via generalized stimulated Raman exact passage

The study of the conversion of ultracold atoms into molecules has long remained a hot topic in atomic, molecular, and optical physics. However, most prior research has focused on diatomic molecules, with relatively scarce exploration of polyatomic molecules. Here we propose a two-step strategy for the formation of stable ultracold tetratomic molecules. We first suggest a generalized nonlinear stimulated Raman exact passage (STIREP) technique for the coherent conversion of ultracold atoms to tetratomic molecules, which is subsequently followed by a chainwise-STIREP technique to transfer the resulting molecules into a sufficiently stable ground state. Through systematic numerical analysis, we demonstrate that the proposed two-step strategy holds great potential for the robust, fast, and efficient formation of stable ultracold tetratomic molecules.


[311] 2512.04805

On Sak's criterion for statistical models with long-range interaction

Determining the threshold value $\sigma_*$ that separates the short-range (SR) and long-range (LR) universality classes in phase transitions remains a controversial issue. While Sak's criterion, $\sigma_* = 2 - \eta_{\mathrm{SR}}$, has been widely accepted, recent studies of two-dimensional (2D) models with long-range interactions have challenged it. In this work, we focus on the crossover between LR and SR criticality in several classical 2D statistical models, including the XY, Heisenberg, percolation, and Ising models, whose interactions decay as $1/r^{2+\sigma}$. Our previous simulations for the XY, Heisenberg, and percolation models consistently indicate a universal boundary at $\sigma_* = 2$. Here, we complete the picture by performing large-scale Monte Carlo simulations of the 2D LR-Ising model, reaching lattice sizes up to $L = 8192$. By analyzing the Fortuin-Kasteleyn critical polynomial $R_p$, the Binder ratio $Q_m$, and the anomalous dimension $\eta$, we obtain convergent and self-consistent evidence that the universality class already changes sharply at $\sigma = 2$. Taken together, these results establish a unified scenario for LR interacting systems: across all studied models, the crossover from LR to SR universality occurs at $\sigma_* = 2$.


[312] 2512.08070

A unified model for underdoped and overdoped cuprate superconductors based on a spinodal transition

Many years of intense research on cuprate superconductors have led to several discoveries, such as the pseudogap and charge density waves (CDW), yet a complete theory is still lacking. By analyzing some experiments and performing calculations, we provide a full interpretation of their properties; from the undoped insulator to the overdoped metallic compounds. The variation of the anomalous Hall coefficient ($R_{\rm H}(T)$) with temperature at half-filling ($n = 1$) and, combinations of undoped ($p = 0$) insulators and metallic films, which, among other things, are indicative of a thermodynamic transition. On the overdoped side, recent experiments near the superconducting-to-metal transition detecting superconducting puddles and a considerable degree of charge disorder, suggest that a similar thermodynamic transition operates at all doping levels. We propose a spinodal or charge-separation transition starting near the pseudogap temperature $T^*(p)$, which among other things generates the CDW domains with a typical double-well Landau free-energy functional. Thus, from the half-filled to the overdoped region, the free energy forms an array of wells with $n = 1$ {\it static} holes. With doping, {\it mobile} holes tend to occupy these wells with alternating high and low densities, generating the CDW pattern. The confined holes in small regions develop local superconducting amplitudes, giving rise to a mesoscopic granular superconductor. Similar to the XY model, the grains develop correlation effects mediated by Josephson coupling, which is proportional to the local superfluid density. This approach yields a unified theory of cuprate superconductors.


[313] 2512.11214

Geometry Induced Localization and Multifractality in Spiral quasiperiodic chain

We study a quasiperiodic Aubry Andre lattice arranged along a spiral curve. In this setup, the changing angle of the spiral naturally stretches and compresses the distances between neighboring sites, which in turn modulates the hopping amplitudes. The onsite potential itself remains the familiar AA form, but this geometry induced variation in the hopping dramatically changes how the system behaves both in its energy spectrum and in how its states this http URL inverse participation ratios together with a full multifractal analysis, we find that curvature makes the system localize much more easily, even at relatively small quasiperiodic strengths. It also produces clear windows where the eigenstates become strongly multifractal. This shows that quasiperiodicity and geometry do not act independently rather, they reinforce one another in shaping the wavefunctions. Overall, we observe a smooth evolution of the states from extended, to multifractal, and finally to strongly localized. Our results pave the way for creating tunable quasiperiodic and geometry-driven localization effects in photonic waveguide arrays, ultracold atoms, mechanical metamaterials, and nanoscale platforms.


[314] 2512.18519

Quasi-two-dimensional soliton in a self-repulsive spin-orbit-coupled dipolar binary condensate

We study the formation of solitons in a uniform quasi-two-dimensional (quasi-2D) spin-orbit (SO) coupled self-repulsive binary dipolar and nondipolar Bose-Einstein condensate (BEC) using the mean-field Gross-Pitaevskii equation. For a weak SO coupling, in a nondipolar BEC, one can have three types of degenerate solitons: a multi-ring soliton with intrinsic vorticity of angular momentum projection $+1$ or $-1$ in one component and 0 in the other, a circularly-asymmetric soliton and a stripe soliton with stripes in the density. For an intermediate SO couplings, the multi-ring soliton ceases to exist and there appears a square-lattice soliton with a spatially-periodic pattern in density on a square lattice, in addition to the degenerate circularly-asymmetric and stripe solitons. In the presence of a dipolar interaction, with the polarization direction aligned in the quasi-2D plane, only the degenerate circularly-asymmetric and stripe solitons appear.


[315] 2512.23883

Unconventional anisotropic charge dynamics in bulk $1T$-TaS$_2$ induced by interlayer dimerization

The commensurate charge-density-wave phase of the prototypical transition metal dichalcogenide $1T$-TaS$_2$ is investigated by temperature- and polarization-dependent infrared spectroscopy, revealing distinct charge dynamics parallel and perpendicular to the layers. Supported by density-functional-theory calculations, we show that the in-plane electronic structure in the low-temperature commensurate phase is reconstructed by the $\sqrt{13}\times\sqrt{13}$ distortion of the Ta layers. In contrast, the out-of-plane response is governed by a quasi-one-dimensional, Peierls-like dimerization of the two-dimensional star-of-David layers. Our results identify this dimerization as the dominant mechanism of the metal-to-insulator transition in both directions, ruling out a significant role of electronic correlations.


[316] 2512.24287

Geometry induced net spin polarization of $d$-wave altermagnets

Altermagnets exhibit spin-split electronic bandstructures despite having zero net magnetization, making them attractive for field-free spintronic applications. In this work, we show that a finite rectangular altermagnetic sample can acquire a net spin polarization purely due to its geometry. This effect arises from the interplay between the anisotropic, spin-resolved Fermi contours of an altermagnet and the discrete sampling of momentum space imposed by unequal sample dimensions. By explicitly counting occupied states, we demonstrate that rectangular samples with $L_x \neq L_y$ host a finite spin polarization, which vanishes in the symmetric limit $L_x=L_y$ and in the thermodynamic limit. We further show that this geometry-induced spin polarization can be directly probed in transport measurements. In the tunneling regime, the charge and the spin conductances exhibit characteristic patterns as a function of sample dimensions, faithfully reflecting the underlying spin polarization. In addition, transport across ferromagnet--altermagnet--ferromagnet junctions reveals an asymmetric magnetoresistance with respect to reversal of the Zeeman field, providing an independent transport signature of the finite spin polarization. Our results establish geometry as an effective control parameter for spin polarization in altermagnets and suggest a viable route for exploiting finite-size effects in mesoscopic altermagnetic spintronic devices.


[317] 2512.24390

Les Houches Lecture Notes on Tensor Networks

Tensor networks provide a powerful new framework for classifying and simulating correlated and topological phases of quantum matter. Their central premise is that strongly correlated matter can only be understood by studying the underlying entanglement structure and its associated (generalised) symmetries. In essence, tensor networks provide a compressed, holographic description of the complicated vacuum fluctuations in strongly correlated systems, and as such they break down the infamous many-body exponential wall. These lecture notes provide a concise overview of the most important conceptual, computational and mathematical aspects of this theory.


[318] 2601.01523

Continuum-Field-Theoretical Construction of Conserved Currents, Non-Invertible Symmetries, and Mixed Anomalies in (3+1)D Non-Abelian Topological Order

In this work, we investigate generalized symmetries, with particular emphasis on non-invertible ones, in three-dimensional non-Abelian topological orders hosting both particle- and loop-like excitations. We adopt a continuum topological field theory description, focusing on twisted $BF$ theories with gauge group $G=\prod_i \mathbb{Z}_{N_i}$ and an $a \wedge a \wedge b$ twisted term. This field theory supports Borromean-Rings braiding and realizes non-Abelian topological order, which for $G=(\mathbb{Z}_2)^3$ admits a microscopic realization via the $\mathbb{D}_4$ Kitaev quantum double lattice model. We systematically identify all generalized symmetry operators by extracting conserved currents from the equations of motion. Two distinct classes of currents emerge: type-I currents, which generate invertible higher-form symmetries, and type-II currents, which give rise to non-invertible higher-form symmetries. The non-invertibility originates from projectors accompanying the symmetry operators, which restrict admissible gauge-field configurations. We further analyze the fusion rules of these symmetries, showing that invertible symmetries admit inverses, while non-invertible symmetries fuse through multiple channels. Finally, we study mixed anomalies among these generalized symmetries by simultaneously coupling multiple currents to proper types of background gauge fields and examining their gaugeability. We identify two types of mixed anomalies: one cancellable by topological field theories in one higher dimension, and another representing an intrinsic gauging obstruction encoded in the $(3+1)$D continuum topological field theory.


[319] 2601.01588

Renewal theory for Brownian motion with stochastically gated targets

There are a wide range of first passage time (FPT) problems in the physical and life sciences that can be modelled in terms of a Brownian particle binding to a reactive surface (absorption). However, prior to absorption, the particle may undergo several rounds of surface attachment (adsorption), detachment (desorption) and diffusion. Alternatively, the surface may be stochastically gated so that absorption can only occur when the gate is open. In both cases one can view each return to the surface as a renewal event. In this paper we develop a renewal theory for stochastically gated FPT problems along analogous lines to previous work on adsorption/desorption processes. We proceed by constructing a renewal equation that relates the joint probability density for particle position and the state of a gate (or multiple gates) to the probability density and FPT density for a totally absorbing (non-gated) boundary. This essentially decomposes sample paths into an alternating sequence of bulk diffusion and instantaneous adsorption/desorption events, which is terminated when adsorption coincides with an open gate. Through a variety of examples, we show how renewal theory provides a general mathematical framework for incorporating stochastic gating into FPT problems.


[320] 2601.04155

Anderson Localization on Husimi Trees and its implications for Many-Body localization

Motivated by the analogy between many-body localization (MBL) and single-particle Anderson localization on hierarchical graphs, we study localization on the Husimi tree, a generalization of the Bethe lattice with a finite density of local loops of arbitrary but finite length. The exact solution of the model provides a transparent and quantitative framework to systematically inspect the effect of loops on localization. Our analysis indicates that local loops enhance resonant processes, thereby reducing the critical disorder with increasing their number and size. At the same time, loops promote local hybridization, leading to an increase in the spatial extent of localized eigenstates. These effects reconcile key discrepancies between MBL phenomenology and its single-particle Anderson analog. These results show that local loops are a crucial structural ingredient for realistic single-particle analogies to many-body Hilbert spaces.


[321] 2601.04640

Construction of asymptotic quantum many-body scar states in the SU($N$) Hubbard model

We construct asymptotic quantum many-body scars (AQMBS) in one-dimensional SU($N$) Hubbard chains ($N\geq 3$) by embedding the scar subspace into an auxiliary Hilbert subspace $\mathcal{H}_P$ and identifying a parent Hamiltonian within it, together with a corresponding extension of the restricted spectrum-generating algebra to the multi-ladder case. Unlike previous applications of the parent-Hamiltonian scheme, we show that the parent Hamiltonian becomes the SU($N$) ferromagnetic Heisenberg model rather than the spin-1/2 case, so that its gapless magnons realize explicit AQMBS of the original model. Working in the doublon-holon subspace, we derive this mapping, obtain the one-magnon dispersion for periodic and open boundaries, and prove (i) orthogonality to the tower of scar states, (ii) vanishing energy variance in the thermodynamic limit, and (iii) subvolume entanglement entropy with rigorous MPS/MPO bounds. Our results broaden the parent-Hamiltonian family for AQMBS beyond spin-1/2 and provide analytic, low-entanglement excitations in SU($N$)-symmetric systems.


[322] 2601.06511

Altermagnetism in exactly solvable model: the Ising-Kondo lattice model

Altermagnet (AM), a recently identified class of collinear magnet, has garnered significant attention due to its unique combination of zero net magnetization and spin-split energy bands, leading to a variety of novel physical phenomena. Using numerically exact lattice Monte Carlo simulations, we investigate AM-like phases within the Ising-Kondo lattice model which is commonly employed to describe heavy-fermion materials. By incorporating an alternating next-nearest-neighbor hopping (NNNH) term, which arises from the influence of non-magnetic atoms in altermagnetic candidate materials, our results reveal key signatures of AM-like states, including spin-splitting quasiparticle bands and spectral functions, and demonstrate that d-wave AM remains stable across a broad range of interaction strengths, doping levels, NNNH amplitudes and temperatures, highlighting its robustness. Furthermore, through an analysis of non-magnetic impurity effects, we further confirm the d-wave symmetry of the AM phase. These findings establish a solid theoretical foundation for exploring AM-like phases in f-electron compounds, paving the way for future investigations into their exotic magnetic and electronic properties.


[323] 2601.06638

A Conservative Log-Size Master Equation for Fragmentation PBEs: Jump Transport, Drift--Diffusion Asymptotics, and PSD Inference

Fragmentation population-balance equations (PBEs) describe how particle size distributions (PSDs) evolve under breakage and daughter fragment redistribution. From a standard self-similar fragmentation class we derive an \emph{exact conservative transport equation in log-size} for the \emph{normalized mass fraction}: a state-dependent \emph{pure-jump} master equation (nonlocal internal-coordinate mass transfer). We also give an explicit Gorini--Kossakowski--Sudarshan--Lindblad (GKSL) factorization whose diagonal sector reproduces this master equation, used here as an \emph{optional} structure-preserving operator representation and constrained parameterization for inverse modeling (rather than a computational necessity). In a controlled small-jump regime, the nonlocal jump transport reduces to a drift--diffusion (Fokker--Planck) operator in log-size space. Under detailed-balance conditions this operator admits the standard symmetrization to a self-adjoint Schrödinger-type spectral problem, enabling compact parametric hypothesis classes for PSD shapes. We then present two inverse routes: (i) time-resolved parametric fitting of transport/spectral parameters, and (ii) a regularized steady-state inversion that reconstructs an effective potential from a measured steady PSD. To address practical validation, we include numerical benchmarks: forward simulation of the jump transport model (CTMC discretization) and its drift--diffusion reduction, quantitative discrepancy metrics, and inverse parameter recovery on an Airy half-line synthetic benchmark under controlled multiplicative noise.


[324] 2601.06668

Two-Level System Microwave Losses in Chemically Pure Bulk Niobium Oxide Samples

Losses from two-level systems (TLS) associated with amorphous oxides remain one of the primary limitations to the performance of superconducting resonators in quantum information science and precision measurements. Niobium resonators are widely used for these purposes, yet niobium's natural oxide stack contains various types of oxides whose relative contributions to TLS loss have not been clearly distinguished. Here, we use a superconducting 3D microwave cavity to measure chemically pure oxides \ch{Nb2O5} and \ch{NbO2}. Using this approach, we directly compare the loss characteristics of \ch{Nb2O5} and \ch{NbO2}. Our measurements show that the \ch{Nb2O5} oxide exhibits TLS-like power and temperature dependence. Analogous measurements performed on \ch{NbO2} do not show any detectable TLS loss signatures. These results provide direct experimental evidence that \ch{Nb2O5} is the dominant TLS host in niobium resonators and establish a general framework for separating oxide-specific dissipation channels


[325] 2601.07418

Collinear $p$-wave magnetism and hidden orbital ferrimagnetism

In the absence of spin-orbit coupling, collinear magnets are classified as even-wave magnets, i.e., either ferro-, antiferro-, or altermagnets. It is based on the belief that collinear magnets always feature an inversion-symmetric band structure, which forbids odd-wave magnetism. Here, we show that collinear magnets, which break time reversal symmetry in the non-magnetic sector, can have an inversion symmetry broken band structure and lead to unconventional types of collinear magnets. Hence, collinear odd-wave magnets do exist, and we explain that a magnetic field-induced Edelstein effect is their unique signature. We propose minimal models based on the coexistence of AFM order with compensated loop current orders for all types of collinear magnets. Our work provides a new perspective on collinear magnets and the spin-space group classification.


[326] 2601.07562

Magnons in multiorbital Hubbard models, from Lieb to kagome

We investigate the magnetic orders and excitations in a half-filled Hubbard model that continuously interpolates between the Lieb and kagome lattices. Using self-consistent Hartree-Fock approximation combined with real-time two-particle response functions from the Bethe-Salpeter equation in the random phase approximation, we map the $U-t'$ phase diagram of the Lieb-kagome lattices, identifying the typical magnetic states and the corresponding magnetic excitation spectra. In addition to gapless Goldstone magnons, the ferrimagnetic and antiferromagnetic symmetry-broken phases also exhibit gapped Higgs magnon bands, which originate from amplitude fluctuations in the order parameter characterizing spontaneous symmetry breaking.


[327] 2601.08023

Multiscale Analysis of Plasma-Modified Silk Fibroin and Chitosan Films

Biological interactions with material surfaces span a wide range of length scales, yet conventional surface measurements often fail to account for scale, limiting the insights they provide for surface engineering. Here, we investigate how multiscale surface descriptors of plasma-modified silk fibroin and chitosan surfaces modify bacterial and immune cell response. Surface chemistry and topography were characterized using X-ray Photoelectron Spectroscopy (XPS) and Atomic Force Microscopy (AFM), followed by sliding bandpass filtration and multiscale curvature tensor-based methods to measure scale-dependent topographic features. Macrophage response and biofilm growth were assessed by fluorescence microscopy. Correlation strength showed scale-dependence with respect to surface features and biological structure: individual bacteria and small colonies correlated more strongly with fine-scale topographic features, whereas macrophage morphology correlated more strongly with larger-scale surface features. Notably, measured surface chemical descriptors generally did not correlate strongly with biofilm formation; nonetheless, chitosan and silk fibroin showed distinct trends in bacterial support, suggesting that material identity was not captured by the measured surface properties and that prevention of biofilms likely benefits from combinatorial approaches as opposed to physical surface modification alone. These results show that different biological structures interact with material surfaces at distinct length scales, as well as demonstrate the utility of multiscale analysis in identifying scales of interest in biological interactions with surfaces. Moreover, the data suggests that tailoring topographic feature size to the characteristic scale of the targeted biological entity is a potential strategy for antibacterial wound-healing materials without incurring cytotoxicity.


[328] 2601.08381

Unavoidable Canonical Nonlinearity Induced by Gaussian Measures Discretization

When we consider canonical averages for classical discrete systems, typically referred to as substitutional alloys, the map phi from many-body interatomic interactions to thermodynamic equilibrium configurations generally exhibits complicated nonlinearity. This canonical nonlinearity is fundamentally rooted in deviations of the discrete configurational density of states (CDOS) from continuous Gaussian families, and has conventionally been characterized by the Kullback-Leibler (KL) divergence on discrete statistical manifold. Thus, the previous works inevitablly missed intrinsic nonlinearities induced by discretization of Gaussian families, which remains invisible within conventional information-geometric descriptions. In the present work, we identify and quantify such unavoidable canonical nonlinearity by employing the 2-Wasserstein distance with a cost function aligned with the Fisher metric for Gaussian families. We derive an explicit expression for the Wasserstein distance in the limit of vanishing discretization scale d to 0: W2 = d*sqrt(Tr(Gamma)^(-1)/12), where Gamma denotes covariance matrix of the CDOS. We further show that this limiting Wasserstein distance admits a clear geometric interpretation on the statistical manifold, equivalent to a KL divergence associated with the expected parallel translations of continuous Gaussian. Our framework thus provides a transport-information-geometric characterization of discretization-induced nonlinearity in classical discrete systems. In addition, we confirm that this W2-KL equivalence admits a natural generalization beyond Gaussian families, provided that the transport cost is aligned with the Fisher metric of an underlying statistical submanifold and the discretization scale links to infinitesimal parameter variations.


[329] 2601.08552

Linear Canonical-Ensemble Quantum Monte Carlo: From Dilute Fermi Gas to Flat-Band Ferromagnetism

We present a finite-temperature canonical-ensemble determinant quantum Monte Carlo algorithm that enforces an exact fermion number and enables stable simulations of correlated lattice fermions. We propose a stabilized QR update that reduces the computational complexity from standard cubic scaling $O(\beta N^3)$ to linear scaling $O(\beta N N_e^2)$ with respect to the system size $N$, where $N_e$ is the particle number. This yields a dramatic speedup in dilute regimes ($N_e \ll N$), opening unbiased access to large-scale simulations of strongly correlated low-density phases. We validate the method on the dilute Fermi gas with onsite Hubbard interactions, observing the suppression of the fermion sign problem in the dilute limit. Furthermore, we apply this approach to an one-dimensional flat-band system, where the canonical ensemble allows for precise control over filling. We reveal a ferromagnetic instability at low temperatures in the half-filling regime. Our linear-scaling approach provides a powerful tool for investigating emergent phenomena in dilute quantum matter.


[330] 2601.09687

Disorder-induced strong-field strong-localization in 2D systems

A recent STM experiment in 2D bilayer graphene [Y.-C. Tsui, et al., Nature 628, 287 (2024)], under a strong perpendicular magnetic field, has made a direct observation of the existence of three distinct filling-factor-dependent quantum phases in the lowest Landau level: the incompressible fractional quantum Hall liquid, a crystalline compressible hexagonal Wigner crystal with long-range order and rotational symmetry-breaking, and a random localized solid phase with no spatial order. We argue that the spatially random localized phase at low filling is the recently proposed disorder-dominated strongly localized amorphous "Anderson solid" phase [A. Babber, et al., arXiv:2601.03521], which appears generically at a sample-dependent filling factor.


[331] 2601.10633

Molecularly Thin Polyaramid Nanomechanical Resonators

Two-dimensional polyaramids exhibit strong hydrogen bonding to create molecularly thin nanosheets analogous to graphene. Here, we report the first nanomechanical resonators made out of a two-dimensional polyaramid, 2DPA-1, with thicknesses as small as 8 nm. To fabricate these molecular-scale resonators, we transferred nanofilms of 2DPA-1 onto chips with previously etched arrays of circular microwells. We then characterized the thermal resonances of these resonators under different conditions. When there is no residual gas inside the 2DPA-1-covered microwells, the eigenfrequencies are well-described by a tensioned plate theory, providing the Young's modulus and tension of the 2DPA-1 nanofilms. With gas present, the nanofilms bulge up and mechanical resonances are modified due to the adhesion, bulging and slack present in the system. The fabrication and mechanical characterization of these first 2DPA-1 nanomechanical resonators represent a convincing path toward molecular-scale polymeric NEMS with high mechanical strength, low density, and synthetic processability.


[332] 2301.10382

Nonadiabatic transitions in non-Hermitian $\mathcal{PT}$-symmetric two-level systems

We systematically characterize the dynamical evolution of time-parity (PT )-symmetric two-level systems with spin-dependent dissipations. If the control parameters of the gap are linearly tuned with time, the dynamical evolution can be characterized with parabolic cylinder equations which can be analytically solved. We find that the asymptotic behaviors of particle probability on the two levels show initial-state-independent redistribution in the slow-tuning-speed limit as long as the system is nonadiabatically driven across exceptional points. Equal distributions appear when the nondissipative Hamiltonian shows gap closing. So long as the nondissipative Hamiltonian displays level anticrossing, the final distribution becomes unbalanced. The ratios between the occupation probabilities are given analytically. These results are confirmed with numerical simulations. The predicted equal distribution phenomenon may be used to identify the closing of the energy gap from anti-crossing between two energy bands.


[333] 2406.04307

High-precision and low-depth quantum algorithm design for eigenstate problems

Estimating the eigenstate properties of quantum systems is a long-standing, challenging problem for both classical and quantum computing. Existing universal quantum algorithms typically rely on ideal and efficient query models (e.g. time evolution operator or block encoding of the Hamiltonian), which, however, become suboptimal for actual implementation at the quantum circuit level. Here, we present a full-stack design of quantum algorithms for estimating the eigenenergy and eigenstate properties, which can achieve high precision and good scaling with system size. The gate complexity per circuit for estimating generic Hamiltonians' eigenstate properties is $\tilde{O} (\log \varepsilon^{-1})$, which has a logarithmic dependence on the inverse precision $\varepsilon$. For lattice Hamiltonians, the circuit depth of our design achieves near-optimal system-size scaling, even with local qubit connectivity. Our full-stack algorithm has low overhead in circuit compilation, which thus results in a small actual gate count (CNOT and non-Clifford gates) for lattice and molecular problems compared to advanced eigenstate algorithms. The algorithm is implemented on IBM quantum devices using up to 2,000 two-qubit gates and 20,000 single-qubit gates, and achieves high-precision eigenenergy estimation for Heisenberg-type Hamiltonians, demonstrating its noise robustness.


[334] 2408.01516

Gibbs Sampling gives Quantum Advantage at Constant Temperatures with O(1)-Local Hamiltonians

Sampling from Gibbs states -- states corresponding to system in thermal equilibrium -- has recently been shown to be a task for which quantum computers are expected to achieve super-polynomial speed-up compared to classical computers, provided the locality of the Hamiltonian increases with the system size (Bergamaschi et al., arXiv: 2404.14639). We extend these results to show that this quantum advantage still occurs for Gibbs states of Hamiltonians with O(1)-local interactions at constant temperature by showing classical hardness-of-sampling and demonstrating such Gibbs states can be prepared efficiently using a quantum computer. In particular, we show hardness-of-sampling is maintained even for 5-local Hamiltonians on a 3D lattice. We additionally show that the hardness-of-sampling is robust when we are only able to make imperfect measurements.


[335] 2409.19515

Anomalous quantized nonlinear Thouless pumping

It has recently been theoretically predicted and experimentally observed that a soliton resulting from nonlinearity can be pumped across an integer or fractional number of unit cells as a system parameter is slowly varied over a pump period. Nonlinear Thouless pumping is now understood as the flow of instantaneous Wannier functions, ruling out the possibility of pumping a soliton across a nonzero number of unit cells over one cycle when a corresponding Wannier function does not exhibit any flow, i.e., when the corresponding Bloch band that the soliton bifurcates from is topologically trivial. Here we surprisingly find an anomalous nonlinear Thouless pump where the displacement of a soliton over one cycle differs from the Chern number of the Bloch band from which the soliton comes. We develop a general theory showing that this anomalous behavior arises from a transition of a soliton between different Wannier functions by passing through an intersite-soliton (or dipole-soliton) state. Furthermore, we find a nonlinearity-induced integer quantized Thouless pump of a soliton, allowing a soliton to travel across one unit cell during a pump period, even when the corresponding band is topologically trivial. Our results open the door to studying nonlinearity-induced Thouless pumping of solitons.


[336] 2410.16860

Typical Quantum States of the Universe are Observationally Indistinguishable

We establish three impossibility results regarding our knowledge of the quantum state of the universe. Suppose the universal quantum state is a typical unit vector in a high-dimensional subspace $\mathscr{H}_0$ of Hilbert space $\mathscr{H}$, such as the low-entropy subspace defined by the Past Hypothesis. We show that: (1) Any particular observation is incapable of identifying the universal state vector in $\mathscr{H}_0$ or substantially reducing the set of possibilities. In other words, the overwhelming majority of possible state vectors are observationally indistinguishable from each other. (2) For any reasonably probable measurement outcome and for most pairs of vectors in $\mathscr{H}_0$, that outcome will not appreciably favor one vector over the other. (3) Bayesian updating on any measurement result, unless it is extraordinarily improbable, has a negligible effect on the initial uniform probability distribution over the states in $\mathscr{H}_0$. These findings represent the most stringent epistemic constraints known for a quantum universe and are derived from a typicality theorem in quantum statistical mechanics. We close by considering how theoretical considerations beyond empirical evidence might inform our understanding of this fact and our knowledge of the universal quantum state.


[337] 2501.09544

Unifying quantum stochastic methods using Wick's theorem on the Keldysh contour

We present a method, based on the Keldysh formalism, for deriving stochastic master equations that describe the non-Markovian dynamics of a quantum system coupled to a Gaussian environment. This approach yields a compact expression for the system's propagator, which we show to be equivalent to existing formulations, such as the stochastic von Neumann equation (SVNE). A key advantage of our method is its generality: It can be extended to describe any open-system evolution defined on a suitable ordering contour. As a result, we adapt it to derive generalized versions of the SVNE that account for initial system-environment correlations, as well as stochastic equations that incorporate information about the statistics of energy flows in the environment. The insights offered by our technique further allow us to examine the nature of the noise processes appearing in the SVNE. We prove that its solution can be expressed in terms of a single physical noise, without any loss of information. Finally, we propose a semiclassical scenario in which this noise can be interpreted as arising from an initial measurement process on the environment.


[338] 2501.12328

Decoherence of Schrödinger cat states in light of wave/particle duality

We challenge the standard picture of decohering Schrödinger cat states as an ensemble average obeying a Lindblad master equation, brought about locally from an irreversible interaction with an environment. We generate self-consistent collections of pure system states correlated with specific environmental records, corresponding to the function of the wave-particle correlator first introduced in Carmichael et al. [Phys. Rev. Lett. 85, 1855 (2000)]. In the spirit of Carmichael et al. [Coherent States: Past, Present and Future, pp. 75-91, World Scientific (1994)], we find that the complementary unravelings evince a pronounced disparity when the ``position'' and ``momentum'' of the damped cavity mode - an explicitly open quantum system - are measured. Intensity-field correlations may largely deviate from a monotonic decay, while Wigner functions of the cavity state display contrasting manifestations of quantum interference when conditioned on photon counts sampling a continuous photocurrent. In turn, the conditional photodetection events mark the contextual diffusion of both the net charge generated at the homodyne detector, and the electromagnetic field amplitude in the resonator.


[339] 2502.13532

On dimensions of (2+1)D abelian bosonic topological systems on non-orientable manifolds

We give a framework to describe abelian bosonic topological systems with parity symmetry on a torus in terms of the projective representation of $GL(2,\mathbb{Z})$. However, this information alone does not guarantee that we can assign Hilbert spaces to non-orientable surfaces in a way compatible with the gluing axiom of topological quantum field theory. Here, we show that we may assign Hilbert spaces with integer dimensions to non-orientable surfaces in the case of abelian bosonic topological systems with time-reversal symmetry, which can be seen as a necessary condition for the existence of topological quantum field theories.


[340] 2502.14364

Exact non-Markovian master equations: a generalized derivation for Gaussian systems

We derive an exact master equation that captures the dynamics of a quadratic quantum system linearly coupled to a Gaussian environment of the same statistics: the Gaussian Master Equation (GME). Unlike previous approaches, our formulation applies universally to both bosonic and fermionic setups, and remains valid even in the presence of initial system-environment correlations, allowing for the exact computation of the system's reduced density matrix across all parameter regimes. Remarkably, the GME shares the same operatorial structure as the Redfield equation and depends on a single kernel - a dressed environment correlation function accounting for all virtual interactions between the system and the environment. This simple structure grants a clear physical interpretation and makes the GME easy to simulate numerically, as we show by applying it to an open system based on two fermions coupled via superconductive pairing.


[341] 2503.05498

Localized necking under global compression in two-scale metallic hierarchical solids

Hierarchically structured cellular solids have attracted increasing attention for their superior mass-specific mechanical properties. Using a remeshing-based continuum finite element (FE) framework, we reveal that two-scale metallic hierarchical solids exhibit a distinct, localized deformation mode that involves necking and fracture of microscale tension members even at small global compressive strains (3-5%). The tensile failure is always preceded by plastic buckling of a complementary compression member. This combined necking-buckling (NB) mode critically underlies the collapse of hexagon-triangle (HTH) hierarchical lattices over a wide range of relative densities and length-scale ratios and is also seen in diamond-triangle (DTH) lattices. In lattices with very slender microscale members, necking is prevented by a competing failure mode that involves coordinated buckling (CB) of multiple members. Our custom remeshing FE framework is critical to resolve the localized large plastic strains, ductile failure, and complex local modes of deformation (including cusp formation) that are characteristic of the NB mode. A theoretical buckling analysis supports the inevitability of the NB and CB modes in HTH lattices. The occurrence of the NB mode has consequences for energy absorption by two-scale hierarchical solids, and hence influences their design.


[342] 2504.00591

Dissipation and non-thermal states in cryogenic cavities

We study the properties of photons in a cryogenic cavity, made by cryo-cooled mirrors surrounded by a room temperature environment. We model such a system as a multimode cavity coupled to two thermal reservoirs at different temperatures. Using a Lindblad master equation approach, we derive the photon distribution and the statistical properties of the cavity modes, finding an overall non-thermal state described by a mode-dependent effective temperature. We also calculate the dissipation rates arising from the interaction of the cavity field with the external environment and the mirrors, relating such rates to measurable macroscopic quantities. These results provide a simple theory to calculate the dissipative properties and the effective temperature of a cavity coupled to different thermal reservoirs, offering potential pathways for engineering dissipations and photon statistics in cavity settings.


[343] 2504.08918

Fault-tolerant protocols through spacetime concatenation

We introduce a framework called spacetime concatenation for fault-tolerant compilation of syndrome extraction circuits of stabilizer codes. Spacetime concatenation enables efficient compilation of syndrome extraction circuits into dynamical codes through structured gadget layouts and encoding matrices, facilitating low-weight measurements while preserving logical information. Our framework uses conditions that are sufficient for fault-tolerance of the dynamical code, including not measuring logical operators and preserving the spacetime distance. We construct explicit examples of dynamical codes using this framework, including the dynamical bivariate bicycle code and a dynamical Haah code, while illustrating their fault-tolerant properties. Furthermore, we analyze the classification and resource trade-offs of dynamical codes, demonstrating their adaptability to hardware constraints, including fabrication defects and qubit dropout scenarios.


[344] 2504.18724

Micromagnons and long-range entanglement in ferrimagnetic ground states

While significant attention has been devoted to studying entanglement in photonic systems, solid-state spin lattices remain relatively underexplored. Motivated by this gap, we investigate the entanglement structure of one-dimensional ferrimagnetic chains composed of alternating spin-1/2 and spin-3/2 particles. We characterize the ground-state correlations using exact diagonalization and the Density Matrix Renormalization Group method. Although the bipartite entanglement is restricted to nearest neighbors, we reveal the presence of long-range genuine multipartite entanglement between spatially separated spin pairs. These findings advance our understanding of quantum correlations in ferrimagnetic materials. The micromagnon description allows to provide fast approximation of ground states of ferrimagnets and emphasizes presence of multipartite correlations not widely discussed thus far.


[345] 2505.04100

Linear Analysis of Stochastic Verlet-Type Integrators for Langevin Equations

We provide an analytical framework for analyzing the quality of stochastic Verlet-type integrators for simulating the Langevin equation. Focusing only on basic objective measures, we consider the ability of an integrator to correctly simulate two characteristic configurational quantities of transport, a) diffusion on a flat surface and b) drift on a tilted planar surface, as well as c) statistical sampling of a harmonic potential. For any stochastic Verlet-type integrator expressed in its configurational form, we develop closed form expressions to directly assess these three most basic quantities as a function of the applied time step. The applicability of the analysis is exemplified through twelve representative integrators developed over the past five decades, and algorithm performance is conveniently visualized through the three characteristic measures for each integrator. The GJ set of integrators stands out as the only option for correctly simulating diffusion, drift, and Boltzmann distribution in linear systems, and we therefore suggest that this general method is the one best suited for high quality thermodynamic simulations of nonlinear and complex systems, including for relatively high time steps compared to simulations with other integrators.


[346] 2505.21481

Probing the quantum motion of a macroscopic mechanical oscillator with a radio-frequency superconducting qubit

Long-lived mechanical resonators like drums oscillating at MHz frequencies and operating in the quantum regime are a powerful platform for quantum technologies and tests of fundamental physics. Yet, quantum control of such systems remains challenging, owing to their low energy scale and the difficulty of achieving efficient coupling to other well-controlled quantum devices. Here, we demonstrate repeated coherent interactions between a 4 MHz suspended silicon nitride membrane and a resonant superconducting heavy-fluxonium qubit. The qubit is initialized at an effective temperature of $21~\mathrm{\mu K}$ and read out with 77% single-shot fidelity. During the $6~\mathrm{ms}$ lifetime of the membrane the two systems swap excitations more than 300 times. After each interaction, a state-selective qubit detection is performed, implementing a stroboscopic series of weak measurements that provide information about the mechanical state. The accumulated records reconstruct the position noise spectrum of the membrane, revealing both its thermal occupation $n_\mathrm{th}\approx47$ at $10~\mathrm{mK}$ and the qubit-induced back-action. By preparing the qubit either in its ground or excited state before each interaction, we observe an imbalance between the emission and absorption spectra, proportional to $n_\mathrm{th}$ and $n_\mathrm{th}+1$, respectively-a hallmark of the non-commutation of phonon creation and annihilation operators. Since the predicted Diósi-Penrose gravitational collapse time is comparable to the measured mechanical decoherence time, our architecture enters a regime where gravity-induced decoherence could be tested directly.


[347] 2508.04990

Generalization of anomaly formula for time reversal symmetry in (2+1)D abelian bosonic TQFTs

We study time-reversal symmetry in $(2+1)$D abelian bosonic topological phases. Time-reversal anomalies in such systems are classified by $\mathbb{Z}_2 \times \mathbb{Z}_2$ symmetry-protected topological (SPT) phases in $(3+1)$D, and can be diagnosed via partition functions on manifolds such as $\mathbb{RP}^4$ and $\mathbb{CP}^2$. These partition functions are related by the anomaly formula \begin{equation*} Z(\mathbb{RP}^4)\, Z(\mathbb{CP}^2) = \theta_{\mathcal{M}}, \end{equation*} where $\theta_\mathcal{M}$ is the Dehn twist phase associated with the crosscap state. Meanwhile, the existence of gapped boundaries is constrained by so-called higher central charges $\xi_n$, which serve as computable invariants encoding obstruction data. Motivated by the known relation $Z(\mathbb{CP}^2) = \xi_1$, we propose a generalization of the anomaly formula that involves both the higher central charges $\xi_n$ and a new time-reversal invariant $\eta_n$. Introducing a distinguished subset $\mathcal{M}^n \subset \mathcal{A}$ of anyons, we establish the relation \begin{equation*} \eta_n \cdot \xi_n = \frac{\sum_{a \in \mathcal{M}^n} \theta(a)^n}{\left| \sum_{a \in \mathcal{M}^n} \theta(a)^n \right|}, \end{equation*} which generalizes the known anomaly formula. We analyze the algebraic structure of $\mathcal{M}^n$, derive consistency relations it satisfies, and clarify its connection to the original anomaly formula.


[348] 2509.07368

Vanishing of the $H^3$ obstruction for time-reversal symmetry in (2+1)D abelian bosonic TQFTs

In $(2+1)$-dimensional topological quantum field theories (TQFTs), the action of a global symmetry group on the anyon system is one of the central topics of research. Owing to the subtle categorical nature of anyons, a global symmetry acting on them is generally realized in a projective manner. Symmetry fractionalization encodes this projective realization. The obstruction to defining symmetry fractionalization is captured by a cohomology class, known as the $H^3$ obstruction, whose nontriviality signals a failure to define symmetry fractionalization consistently. In this short note, we prove that the $H^3$ obstruction for time-reversal symmetry always vanishes in abelian bosonic TQFTs.


[349] 2509.20594

Anderson self-localization of light in pair plasmas

We demonstrate that in pair plasma weakly nonlinear electromagnetic waves, $a_0 \leq 1$, experience Anderson self-localization. The beat between the driver and a back-scattered wave creates charge-neutral, large random density fluctuations $\delta n/n_0 \gg 1$, and corresponding fluctuations of the dielectric permittivity $\epsilon$ (random plasma density grating). Propagating in quasi-1D, waves in a medium with spatially random self-created fluctuations of dielectric permeability experience localization. {In the linear regime, the instability can be classified as Induced Brillouin Scattering; it is described by the parameter $\rho _L = \left( a_0 { \omega_{p}/ }{\omega}\right)^{2/3} \leq 1 $, related to the Pierce parameter of Free Electron Lasers. In the cold case, the growth rate is $\Gamma \approx \rho _{L} \omega$ ($a_0 $ is laser nonlinearity parameter, $\omega_p$ is plasma frequency, $\omega$ is the laser frequency). } Anderson self-localization of light leads to (i) reflection of EM waves by the under-dense pair plasma; (ii) a wave already present inside the plasma separates into bright trapped pockets and dark regions. Mild initial thermal spread with $\Theta \equiv k_B T/(m_e c^2) \approx a_0^2$, restores wave propagation by suppressing the seeds of parametrically unstable density fluctuations. A circularly polarized driver produces linearly polarized structures, with position angle varying randomly between the bright pulses. Time-variability of the resulting density structures does not suppress localization due to remaining corrections (not white noise). We discuss possible applications to astrophysical Fast Radio Bursts.


[350] 2509.25039

Effective Free Energy Landscapes and Black Hole Thermodynamic Phase Transitions

A recent interesting development in the dynamics of black hole phase transitions has been the so-called Gibbs free energy landscape approach. In this formalism, it is assumed that there exists a canonical ensemble of a series of black hole spacetimes with arbitrary horizon radius at a given ensemble temperature. An off-shell Gibbs free energy is defined for every spacetime state in the ensemble, with the horizon radius treated as the order parameter. The minima (maxima) of this function correspond to the various stable (unstable) black hole states. This off-shell Gibbs free energy is then treated as a classical effective drift potential of an associated Fokker-Planck equation used to study the stochastic dynamics of black hole phase transition under thermal fluctuations. Additive noise, which is independent of the black hole size, is assumed in obtaining the Fokker-Planck equation. In this work we extend the previous treatment by considering the effects of multiplicative noise, namely, noise that could scale with black hole size. This leads to an effective free energy function that can be used to study the modification of the thermodynamic phase transition of a black hole system. It is realized that it is generally difficult to form black holes under a multiplicative noise, unless the effective and the original free energy become extremal at the same horizon radius. For this latter situation some theoretical noise profiles which are monotonically increasing/deceasing functions of the horizon radius are considered. It is found that stronger noise disfavors the formation of black hole


[351] 2510.13950

Quantum State Designs via Magic Teleportation

We investigate how non-stabilizer resources enable the emergence of quantum state designs within the projected ensemble. Starting from initial states with finite magic and applying resource-free Clifford circuits to scramble them, we analyze the ensemble generated by performing projective Pauli measurements on a subsystem of the final state. Using both analytical arguments and large-scale numerics, we show that the projected ensemble converges towards a state $k$-design with an error that decays exponentially with the $k$-th Stabilizer Rényi Entropy of the pre-measurement state, via a Magic-Induced Design Ansatz (MIDA) that we introduce. We identify a universal scaling form, valid across different classes of magic initial states, and corroborate it through numerical simulations and analytical calculations of the frame potential. For finite-depth Clifford unitaries, we show that the timescales at which state designs emerge are controlled by the transport of magic. We identify a ``magic teleportation'' mechanism whereby non-Clifford resources injected locally spread through Clifford scrambling and measurements across distances beyond the lightcone. Our results demonstrate how a small and controlled amount of magic suffices to generate highly random states, providing a systematic route toward generating quantum state designs in early fault-tolerant devices.


[352] 2510.25996

Overcoming disorder in superconducting globally driven quantum computing

We study the impact of static disorder on a globally-controlled superconducting quantum computing architecture based on a quasi-two-dimensional ladder geometry [R. Menta et al., Phys. Rev. Research 7, L012065 (2025)]. Specifically, we examine how fabrication-induced inhomogeneities in qubit resonant frequencies and coupling strengths affect quantum state propagation and the fidelity of fundamental quantum operations. Using numerical simulations, we quantify the degradation in performance due to disorder and identify single-qubit rotations, two-qubit entangling gates, and quantum information transport as particularly susceptible. To address this challenge, we rely on pulse optimization schemes, and, in particular, on the GRAPE (Gradient Ascent Pulse Engineering) algorithm. Our results demonstrate that, even for realistic levels of disorder, optimized pulse sequences can achieve high-fidelity operations, exceeding 99.9% for the three quantum operations, restoring reliable universal quantum logic and robust information flow. These findings highlight pulse optimization as a powerful strategy to enhance the resilience to disorder of solid-state globally-driven quantum computing platforms.


[353] 2511.13142

Multiphase transport and compositional mixing mechanisms in twin-wire laser directed energy deposition: toward process stability and graded material fabrication

Twin-wire laser directed energy deposition (TW-LDED) provides a promising route for alloying and fabrication of compositionally graded structures. However, inherent multiparameter coupling in twin-wire systems critically exacerbates both process instabilities and compositional inhomogeneity. This unresolved issue escalates into a fundamental technological bottleneck, as the underlying physical mechanisms remain poorly understood. This study developed a high-fidelity multi-physics and multiphase simulation framework coupled with experimental validation to reveal thermal-fluid behavior and heat-mass transfer mechanisms in TW-LDED using Inconel 718 and SS316L fine wires. Three distinct transition modes were identified: twin-wire melt droplet, twin-wire liquid bridge, and droplet-bridge mixed transitions, with the twin-wire liquid bridge regime delivering optimal stability and uniform mixing. Parametric analysis demonstrates that increasing wire feeding speed or decreasing wire initial height promotes stable liquid bridge formation, while small laser spots at low feeding speeds induce excessive volumetric energy density and bridge instability. Simulation and single-track experiments confirm that liquid bridge transitions reduce dimensional fluctuations by 85% while enhancing compositional homogeneity. Conversely, the melt droplet-bridge transition mode creates periodic flow switching and compositional discontinuities along the scan direction. Finally, a 60 mm functionally graded ring was successfully fabricated using optimized parameters, achieving uniform elemental distribution in the transition zone without significant segregation, validating the feasibility of TW-LDED for functionally graded components.


[354] 2512.06707

Interplay between Standard Quantum Detailed Balance and Thermodynamically Consistent Entropy Production

We demonstrate that, for a quantum Markovian semigroup on a finite-dimensional Hilbert space, if it satisfies the standard quantum detailed balance condition, its generator admits a special representation that yields a vanishing entropy production rate. Conversely, if the generator admits a special representation adhering to the condition of thermodynamic consistency and leading to a vanishing entropy production rate, then the corresponding quantum Markovian semigroup must satisfy the standard quantum detailed balance condition. In this context, we adopt the definition of entropy production rate that is motivated by the physics literature and standard for thermodynamically consistent Lindbladians.


[355] 2601.00751

Spin-operator form factors of the critical Ising chain and their finite volume scaling limits

In this work, we provide a self-contained derivation of the spin-operator matrix elements in the fermionic basis, for the critical periodic Ising chain at a generic system length $N\in 2Z_{\ge 2}$. The approach relies on the near-Cauchy property of certain matrices formed by the Toeplitz symbols in the critical model, and leads to a few square-root products for the leg functions. The square root products allow simple integral representations, that further reduce to the Binet's second integral and its generalization by Hermite, in the finite volume scaling limit. This leads to product formulas for the spin operator matrix elements in the scaling limit, providing explicit expressions for the spin-operator form factors of the Ising CFT in the fermionic basis, that were computed iteratively in Yurov:1991my. They are all rational numbers up to $\sqrt{2}$. We also determine the normalization factor of the spin-operator and show explicitly how the coefficient $G(\frac{1}{2})G(\frac{3}{2})$ appear through a ground state overlap. Moreover, by expanding the spin-spin two point correlator in the fermionic basis, we observed a Fredholm determinant identity that allows to show the convergence of the rescaled two-point correlator to the CFT version on a cylinder.


[356] 2601.02122

Efficient Calculation of the Maximal Rényi Divergence for a Matrix Product State via Generalized Eigenvalue Density Matrix Renormalization Group

The study of quantum and classical correlations between subsystems is fundamental to understanding many-body physics. In quantum information theory, the quantum mutual information, $I(A;B)$, is a measure of correlation between the subsystems $A,B$ in a quantum state, and is defined by the means of the von Neumann entropy: $I\left(A;B\right)=S\left(\rho_{A}\right)+S\left(\rho_{B}\right)-S\left(\rho_{AB}\right)$. However, such a computation requires an exponential amount of resources. This is a defining feature of quantum systems, the infamous ``curse of dimensionality'' . Other measures, which are based on Rényi divergences instead of von Neumann entropy, were suggested as alternatives in a recent paper showing them to possess important theoretical features, and making them leading candidates as mutual information measures. In this work, we concentrate on the maximal Rényi divergence. This measure can be shown to be the solution of a generalized eigenvalue problem. To calculate it efficiently for a 1D state represented as a matrix product state, we develop a generalized eigenvalue version of the density matrix renormalization group algorithm. We benchmark our method for the paradigmatic XXZ chain, and show that the maximal Rényi divergence may exhibit different trends than the von Neumann mutual information.


[357] 2601.04535

Maximal Entanglement and Frozen Information: A Unified Framework for Dynamical Quantum Phase Transitions

Dynamical quantum phase transitions (DQPTs) are temporal singularities marked by zeros of the Loschmidt echo, yet their underlying quantum-information structure remains elusive. Here, we introduce a momentum-resolved entanglement entropy as a direct probe of DQPTs in translation-invariant free systems. We analytically establish that every critical momentum mode $k^{*}$ associated with a DQPT saturates its entanglement to the maximal value $\ln{2}$, coinciding with the vanishing of the Loschmidt echo. Crucially, we demonstrate that this maximal entanglement universally suppresses information scrambling: a momentum-resolved out-of-time-ordered correlator (OTOC) vanishes identically for all times at $k^{*}$. These three signatures -- Fisher zeros, maximal entanglement, and vanished OTOC -- are proved to be equivalent in both the transverse-field Ising and Su-Schrieffer-Heeger models, despite their distinct bipartitions (momentum-pair vs. sublattice). Our results establish a unified, information-theoretic framework for DQPTs, revealing them a points where quantum correlations saturate and information flow halts. This work elevates entanglement and scrambling to central dynamical order parameters, offering a universal perspective on nonequilibrium quantum critically.


[358] 2601.06089

A Polarization Hall Effect in Hydrated DNA

Understanding how soft matter systems, including biological ones, can develop collective electromagnetic phenomena under external fields at ambient conditions remains a central challenge, as thermal fluctuations are generally expected to suppress long-range organization. Here, we report that hydrated DNA exhibits a reproducible magnetic-field-induced transition characterized by a sharp transverse-voltage threshold, followed by a regime of regular, phase-stable oscillations in the transverse polarization signal. These features emerge only beyond the threshold and display a pronounced temperature dependence, consistent with the formation of a collective mode within the hydrogen-bond network of the DNA-water interface. Motivated by recent studies of Hall-like responses carried by neutral excitations, including phonons, magnons, and excitons, we interpret the observed transverse signal in terms of coherent polarization dynamics of proton - proton-hole dipoles confined to a quasi-two-dimensional hydrated layer. Within this framework, the transverse response is attributed to a field-organized polarization mode; the measured transverse voltage arises from collective dipolar dynamics rather than steady carrier transport. These results identify hydrated DNA as a soft-matter system in which magnetic field and temperature jointly modulate collective polarization dynamics, providing a biologically relevant platform for exploring coherence and transverse phenomena in hydrogen-bonded media.


[359] 2601.06746

Imaginary Gauge-steerable Edge Modes In Non-Hermitian Aubry-André-Harper Model

We identify steerable exponentially localized in-gap mode in a quasiperiodic non-Hermitian Aubry-André-Harper chain with a spatially fluctuating, zero-mean imaginary gauge field. Under open boundary conditions, the system is exactly related to the Hermitian AAH model by a nonunitary gauge transformation: the OBC spectrum and Lyapunov exponents are unchanged, while eigenstates acquire a gauge-dependent envelope. In a parameter region with spectrally isolated in-gap boundary modes, we find two exponentially localized in-gap modes with sharply different responses to the imaginary gauge field. One remains boundary pinned, but the other is gauge-steerable: it stays exponentially localized while its probability maximum shifts as the gauge field is changed, with its eigenenergy unchanged. We further show that weak on-site gain, applied at a single site chosen once and then kept fixed, can dynamically prepare this steerable mode from a generic bulk wave packet. Changing the gauge field then yields exponentially localized states at different locations.


[360] 2601.07198

Direct temperature readout in nonequilibrium quantum thermometry

Quantum thermometry aims to measure temperature in nanoscale quantum systems, paralleling classical thermometry. However, temperature is not a quantum observable, and most theoretical studies have therefore concentrated on analyzing fundamental precision limits set by the quantum Fisher information through the quantum Cramer-Rao bound. In contrast, whether a direct temperature readout can be achieved in quantum thermometry remains largely unexplored, particularly under the nonequilibrium conditions prevalent in real-world applications. To address this, we develop a direct temperature readout scheme based on a thermodynamic inference strategy. The scheme integrates two conceptual developments: (i) By applying the maximum entropy principle with the thermometer's mean energy as a constraint, we assign a reference temperature to the nonequilibrium thermometer. We demonstrate that this reference temperature outperforms a commonly used effective temperature defined through equilibrium analogy. (ii) We obtain positive semi-definite error functions that lower-bound the deviation of the reference temperature from the true temperature-in analogy to the quantum Cramer-Rao bound for the mean squared error-and vanish upon thermalization with the sample. Combining the reference temperature with these error functions, we introduce a notion of corrected dynamical temperature which furnishes a postprocessed temperature readout under nonequilibrium conditions. We validate the corrected dynamical temperature in a qubit-based thermometer under a range of nonequilibrium initial states, confirming its capability to estimate the true temperature. Importantly, we find that increasing quantum coherence can enhance the precision of this readout.


[361] 2601.09187

IEPDYN: Integral-equation formalism of population dynamics

We propose the integral-equation formalism of population dynamics (IEPDYN) to describe the population dynamics of distinct configurational states. According to classical reaction dynamics theory, the probability density associated with a given state obeys the Liouville equation, including influx from and efflux to neighboring states. By introducing a Markov approximation for the crossing of boundaries separating the states, tractable integral equations governing the state populations are derived. Once the time-dependent quantities appearing in these equations are evaluated, the population dynamics on long timescales can be obtained. Because these quantities depend only on a few states in the local neighborhood of a given state, they can be computed using a set of short-timescale molecular dynamics (MD) simulations. The IEPDYN method is formulated in continuous time and therefore does not rely on a coarse-grained timescale (lag time). Consequently, kinetic quantities obtained from IEPDYN are free from lag-time dependence, which has been discussed as a limitation in other approaches. We apply the IEPDYN method to the binding and unbinding kinetics of CH$_4$/CH$_4$, Na$^+$/Cl$^-$, and 18-crown-6-ether (crown ether)/K$^+$ in water. For both kinetics, the time constants estimated from the IEPDYN method are almost comparable to those obtained from brute-force MD simulations. The required timescale of each MD trajectory in the IEPDYN method is approximately two orders of magnitude shorter than that in the brute-force MD approach in the crown ether/K$^+$ system. This reduction in the trajectory timescale enables applications to complex binding and unbinding systems whose characteristic timescales are far beyond those directly accessible by brute-force MD simulations.