It is well-known that the dimensionless Landauer resistance \rho of an 1D disordered system obeys the log-normal distribution. The average value <\rho> for such distribution is not representative, since it strongly differs from the typical value \rho_{typ} in a specific sample. In fact, this conclusion should be revised due to effects of non-ergodicity. If L is the system size, and $K$ is the number of realizations of a random potential, then a situation for L\to\infty, K\to \infty depends on the order of limiting transitions. If the limit K\to \infty is taken firstly, then the log-normal distribution is valid for all L, if the condition \rho>>1 is fulfilled. If the number of realizations K is restricted, then a situation for L\to \infty is effectively described by the delta-function distribution, and <\rho>\approx\rho_{typ}$. Transformation of the log-normal distribution can be observed with the use of experimental technique developed in the context of the universal conductance fluctuations. Non-ergodicity effects are essential for understanding of the difference between the theoretical predictions for the parameters of the log-normal distribution and the results of numerical and physical experiments.
In a recent paper [arXiv:2604.24783 (2026)], we have proposed a general approach to treat systems with inherent non-Boltzmann-Gibbsian behaviour. Given the extremely high accuracy of our approach, we have adopted the term hyperstatistics. We have applied such a statistical mechanics approach, i.e., hyperstatistics, to the discharge of a capacitor in a RC series circuit, pumping of $^4$He of a closed cycle cryostat, midrapidity data of $p$-Pb collisions at the LHC, as well as for the distribution of accelerations in turbulent systems. Here, we discuss into more details the ground of hyperstatistics. We demonstrate the versatility of hyperstatistics upon applying it to the velocity autocorrelation function in Brownian motion and also regarding its potential to describe brain dynamics.
Topologically polarized mechanical metamaterials enjoy a special built-in asymmetry that manifests as a preferred localization of edge states on selected edges. While this property has been shown for a few ideal Maxwell lattices, we currently lack systematic criteria to design families of structural systems exhibiting polarization. Here, we propose a framework to design polarized structural configurations enabled by topology optimization (TO), using both band and mode morphological properties as drivers of the optimization algorithm. Through the lens of TO, we are able to tap into a vast design space, unlocking geometric freedom far beyond what is achievable with canonical lattice architectures. At the same time, we elucidate important criteria that need to be satisfied, beyond the optimization outcome, to ensure robustness of the achieved polarization against perturbations of the edge morphology. These results provide the inspiration to loop back into the realm of ideal lattices in search of new configurations characterized by extreme polarization. The peculiar shape and connectivity of the TO-generated lattice offer a blueprint for identifying a new family of Maxwell trusses based on augmented kagome geometry. We demonstrate the achievement of strong polarization signatures up to a three-count edge state mismatch. For all the cases studied, we show agreement between theory, simulations, and experiments, which include laser vibrometry wave measurements on a waterjet-cut specimen and static tests on a 3D-printed prototype.
In non-Markovian systems, distinct dynamical phases arise from the competition between internal memory and external forcing, encompassing thermalization, persistent ergodicity breaking, and runaway energy growth. This study shows that the scaling parameter $\eta$ governs the emergent phase diagram within a system described by the Generalized Langevin Equation, particularly when subjected to external drives with asymptotic power-law tails. Three universal regimes for diffusive processes are delineated by this parameter: thermalization ($\eta > 0$), non-ergodic saturation ($\eta = 0$), and a force-dominated runaway phase ($\eta < 0$). The fluctuation-dissipation theorem, within this framework, is shown to be independent of external force and determined by the integral of noise density of states. A selective breaking of ergodicity is revealed by this formulation; microscopic fluctuations are decoupled from the drive, yet the relaxation completely encodes it, which in turn controls the kinetic effective temperature. Direct Langevin simulations in the Markovian limit quantitatively confirm this classification, capturing the non-thermal plateau at the critical point.
A systematic method to find the Yang-Lee partition function zeros of quantum many-body systems based on perturbation theory at finite temperatures was recently introduced in arXiv:2504.01880. This method identifies wave-vector and temperature-dependent complex virtual energies obtainable from the thermal electronic Greens function. The collection of virtual energies over all $\vec{k}$ yield the Yang-Lee zeroes. We apply this approach to the one-dimensional Hubbard model for different boundary conditions. We compare the results obtained by this method up to second-order in perturbation theory with the results found by exact diagonalization. We also propose a quantity that could be used for experimental detection of these zeros of a Hubbard ring. An example of the detection method is presented using exact diagonalization of the 8-site Hubbard ring.
Magic-angle twisted trilayer graphene(MATTG) hosts versatile displacement-field-tuned correlated phenomena. MATTG consists of a dispersive Dirac cone which hybridizes with the flat band from a twisted bilayer graphene (TBG) sector. The hybridization strength increases with the displacement field $D$ and naively one may expect D-driven heavy fermion physics. However, the TBG Hubbard bands have a momentum-selective Mott gap, which is small at the $\Gamma$ point due to the band topology, and a rigid local moment description as in the familiar Kondo lattice model is invalid. Here we show that the dominant effect of the displacement field is to induce an energy shift of the Dirac cone and self-doping into the TBG sector. We illustrate this picture in a concrete calculation using a slave-particle theory at the filling $\nu=\pm 2$. We find that increasing $D$ drives a transition from a semimetal into a superconducting state. We also discuss the enhancement of the superconductivity by $D$ near $\nu=\pm2$ and the particle-hole asymmetry of the phase diagram. Our results provide a unified picture for electric-field-tunable superconductivity, Mottness, and heavy-fermion-like behavior in MATTG.
The interplay between symmetry and thermalization governs the late-time dynamics of local quantum and classical many-body systems at nonzero temperature. Recently, two parallel frontiers have emerged: the search for robust anomalous hydrodynamics -- such as superdiffusion -- in generic, non-integrable models, and the formal effort to generalize the fundamental concept of global symmetry. In this paper, we bridge these frontiers by demonstrating that quantum group symmetry provides a novel mechanism for anomalous hydrodynamics in chaotic systems. We study the dynamics of local operators carrying $U(1)$ charge in non-integrable lattice models that also have quantum group symmetry. One example is transverse spin in the XXZ model with integrability breaking deformations. While such excitations are expected to decay very quickly at high temperature because their charge forbids overlap with conventional hydrodynamic densities, we find that protection by the quantum group symmetry makes these modes long-lived, despite the absence of local quantum group charge density or current. Furthermore, the dynamics is superdiffusive across Hamiltonian, Floquet, and classical realizations, and exhibits unusual finite size effects at very late times. We also revisit transverse spin dynamics in the integrable XXZ model.
Magnetic materials with square-net sublattices are of great interest due to its potential to realize magnetic frustration. Here we report the crystal growth and structural, magnetic, thermodynamic and electronic transport properties of a new rare-earth-based intermetallic compound, Er3Pt2Sb4.55(5). The new material possesses a distorted square-net framework of Er. Magnetic properties measurements suggest anisotropic behavior, long-range antiferromagnetic ordering and metamagnetic transitions based on a Jeff = 1/2 Er3+ motif. A magnetic structure is proposed based on the observed magnetic and thermodynamic properties. This new material expands the R3Pt2Sb4+x family with distorted square-net lattice of rare-earth elements and offers a new opportunity to study the relationship between magnetic ordering, crystal-electric field effect and crystal structure in rare-earth-based compounds.
Silicon has a unique combination of properties that makes it one of the best material choices for biosensor platforms: it is inexpensive, its native oxide is atomically smooth, its fabrication processes are CMOS-compatible and have been refined for more than three decades, and it can support many transduction mechanisms in biosensor design. Over the past thirty years, researchers and engineers have used silicon nanostructures to produce ion-sensitive transistors, ultrasensitive nanowire field-effect biosensors, refractive-index-based porous silicon films, microring photonic resonators, suspended cantilevers, luminescent quantum dots, and solid-state nanopores. These device families have demonstrated successful sensing capabilities at the single-molecule, single-virus, or sub-femtomolar level under laboratory conditions; however, they have rarely been widely deployed in clinical assays. This gap is mainly caused by several well-characterized bottlenecks: for nanowire BioFETs, device variability and Debye screening; for porous silicon, fouling, pore wetting, and surface stability; for silicon photonics, thermal drift, spectral readout, and packaging; and across all platforms, calibration, reproducibility, and validation in real biofluids. In this review, we trace the development of silicon biosensors from their early stages to their current state, search and organize the literature focusing on the three most mature platforms and a set of emerging directions, summarize and compare the performance and bottlenecks of different platforms, and argue that progress over the next decade will come primarily from integrated readout, interface engineering, and systematic benchmarking rather than from the discovery of new silicon nanostructures.
Superconducting resonators are finding increasing applications in designing advanced quantum circuits for ongoing sensing, metrology, and computing technological revolution. A detailed knowledge of microscopic electromagnetic properties of superconducting resonators is directly relevant for their further improvements on circuitry design and device performance. Here, we introduce scanning-probe quantum microscopy to report nanoscale sensing of microwave and static magnetic field environment of an on-chip niobium (Nb) superconducting resonator. Taking advantage of Rabi oscillation measurements, we show that microwave magnetic fields generated by the superconducting resonator mode can be utilized to achieve coherent control of a quantum spin sensor. We further visualize static electromagnetic field response of the Nb resonator, showing magnetic field-induced formation, evolution, and depinning of superconducting vortices. Our results provide insights into future design, testing and evaluation of solid-state superconducting resonators, highlighting the potential of quantum sensors as a local probe to investigate electromagnetic properties of superconducting quantum circuits.
Segregated states based on particle size emerge in granular materials from the competition between segregation and diffusive remixing. Here, we show that quantum coherence can enhance segregation beyond this classical limit. We introduce an open quantum cellular automaton for bidisperse mixtures that combines coherent transport and dissipative segregation. The automaton reproduces experimental and continuum-theory segregation dynamics, with segregation degrees collapsing onto a theoretical Péclet-dependent relationship. However, weakly decohering systems exhibit a coherence-driven transport regime that produces more strongly segregated steady states than classical predictions. Across a broad parameter range, the steady-state degree of segregation collapses onto two dimensionless numbers governing the competition between segregation, diffusion, and decoherence. These results identify quantum coherence as a mechanism for enhancing particle-size segregation and establish a framework for studying transport phenomena in open many-body systems.
A new family of high-temperature superconductors was recently discovered in the $n=2,3$ Ruddlesden-Popper nickelates, where superconductivity emerges concomitant with suppression of parent density waves and structural octahedral rotations under hydrostatic pressure. Intriguingly, compressive strain mimics the structural effects of pressure in the $n=2$ phase, yielding ambient-pressure superconductivity. However, analogous strain-stabilized superconductivity has not been realized in the $n=3$. Here, we use atomically-precise synthesis, transport, picoscale electron microscopy, and synchrotron X-ray diffraction to probe $n=3$ La$_4$Ni$_3$O$_{10}$ thin films. Although compressive strain suppresses density wave order, we do not observe superconductivity even under the largest strain state. Importantly, we identify a structural distortion unique to strained $n=3$ thin films that may inhibit superconductivity: persistent, layer-inequivalent octahedral rotations around the $c$-axis. Our results highlight key differences between the $n=3$ and $n=2$ systems, suggesting that ambient-pressure superconductivity in the $n=3$ may require new methods beyond epitaxial strain engineering.
Diagnosing hidden local orders at buried interfaces remains a central challenge in the design and characterization of quantum materials. Second-order electrical responses, such as the nonlinear Hall effect, probe inversion-symmetry-breaking terms invisible to linear transport, offering a direct window into these nanoscale environments via the quantum geometry of Bloch electrons. Here, we utilize $\text{KTaO}_3$, a complex oxide driven by strong tantalum $5d$ spin-orbit coupling and interfacial inversion symmetry breaking, to demonstrate that second-harmonic resistivities exhibit large, reproducible mesoscopic fluctuations. Remarkably, these fluctuations persist in macroscopically large ($200\,\mu\text{m}$) devices and are ubiquitous across all studied surface orientations, even where macroscopic conductivity strictly adheres to underlying crystal symmetries. We propose that these robust, magnetic-field-driven interference patterns arise from local structural symmetry breaking, driven by incipient ferroelectric polarization pinned to the interfacial impurity landscape. This defect-pinned polar mechanism is firmly supported by the signal's suppression above $10\text{ K}$ due to phase decoherence, and a complete loss of mesoscopic memory upon thermal cycling above $40\text{ K}$. By linking quantum geometry to dynamic lattice ordering, our findings establish nonlinear mesoscopic transport as a powerful new characterization tool, capable of revealing local polar tendencies and hidden structural orders in complex materials that remain fundamentally invisible to conventional probes.
Noise sets the fundamental limits of resolution and sensitivity in Dynamic Atomic Force Microscopy (DAFM). While thermal fluctuations are conventionally assumed to be the dominant noise source, this work demonstrates that tip--sample interactions in ambient conditions introduce a non--thermal noise component that significantly exceeds the thermal background. Using a model system of sodium dodecyl sulfate (SDS) on graphite, we characterize this noise through force spectroscopy, 3D imaging modes, and Kelvin Probe Force Microscopy (KPFM). This interaction--induced noise arises from the stochastic formation and rupture of nanoscopic liquid necks, serving as a direct fingerprint of local wettability and dissipative dynamics. Crucially, we find that this ``noise channel'' provides chemical contrast that is distinct from and complementary to the electrostatic potential mapped by KPFM. By deciphering the physical origin of these fluctuations, we establish that noise is not merely an instrumental artifact but a rich spectroscopic signal, and we propose that Frequency Modulation (FM--DAFM) offers a superior approach to decouple these dissipative effects for high--resolution imaging.
Hybrid systems consisting of color centers and magnetic materials provide an appealing solid-state platform for advancing the burgeoning quantum technological revolution. Exploring novel coupling mechanisms between optically active spin defects and quantum degrees of freedom is directly relevant in this context. Here, we report observation and control of spontaneous magnon emission from boron-vacancy centers in 2D hexagonal boron nitride (hBN), an unconventional qubit-magnon dipole coupling channel that dominates in the near-zero temperature limit. The spontaneous magnon emission process starts to be overshadowed by thermal magnon effect as temperature increases, reflecting the crossover from an emission-dominated, effectively cold magnon reservoir to a thermally occupied spin bath where absorption and stimulated processes restore balance. By increasing the spin defect density, we further present that spontaneous magnon emission into a common spin bath could help establish quantum correlations in dense hBN spin ensembles. Our results are quantitatively captured by detailed theoretical modeling, bringing insights into understanding qubit-magnon coupling, correlated spin dynamics, and many-body physics of color centers in the quantum regime.
Strong electron-electron interactions underlie a wide range of quantum many-body phenomena, including magnetism, superconductivity, and charge fractionalization. A central goal is to achieve in situ control over lattice geometry, bandwidth, and band topology within a single platform. Here we realize such an electrically programmable quantum many-body system in an alternating twisted trilayer MoTe$_2$, where an out-of-plane displacement field continuously modifies the layer polarization, effective lattice, and topology of the moiré bands. At zero displacement field, the system realizes a triangular lattice hosting a correlated insulator at one hole per moiré unit cell ($\nu = -1$). Doping this state produces strongly asymmetric magnetic responses: double-exchange-like ferromagnetism for $|\nu| > 1$, and signatures of spin polarons and antiferromagnetism for $|\nu| < 1$. At large displacement field, interlayer hybridization reconstructs the electronic structure into a honeycomb lattice with a flat Chern band, supporting integer and fractional Chern insulators. Magneto-optical measurements further reveal the signatures of gap closure and Landau-level formation from a spin-polarized Fermi surface near the crossover between the two regimes. These results establish a unified, electrically tunable platform in which correlated magnetism and topological states emerge from a single controllable band structure.
In most helimagnets, an applied magnetic field aligns the propagation direction of a helical spin texture with the field, resulting in a conical state and obscuring the unwinding process. Here, we access a complementary regime in the anisotropic chiral magnet Mn$_{1.4}$PtSn, where crystal symmetry constrains the propagation direction of the spin modulation. Using resonant elastic X-ray scattering in a vector magnet, we track the evolution of quasi-one-dimensional spin textures that propagate along a chiral crystallographic axis while the magnetic field is applied perpendicular to this direction. Together with micromagnetic simulations, our measurements reveal a transformation from the zero-field $\pi$-chiral soliton lattice into a fan-like state. In this state, the propagation direction remains transverse to the applied field, while the spins oscillate about the field direction. During magnetization, the modulation length decreases continuously with the field and approaches the field-polarized state. Simulations indicate that magnetostatic interactions in finite samples play a key role in stabilizing this behavior. Our results provide evidence for a fan-like regime in a chiral magnet and highlight how field orientation can be used to control one-dimensional spin textures.
Metallic delafossite oxides have drawn attention for their ultralow resistivity and coherent electronic transport. However, mesoscopic transport studies are hindered by the limited access to high quality nanoscale devices. Here, we report single crystalline PdCoO2 nanomembranes, enabling exploration of quasi two dimensional (2D) transport. Shubnikov de Haas and Aharonov Bohm oscillations under different magnetic field orientations are observed at low temperatures, from which the electron effective mass and electron phase coherence length are extracted. Beyond quantum transport, the electrical performance of PdCoO2 toward interconnect applications is evaluated. A nearly thickness independent room temperature resistivity is observed for flakes down to 40 nm thickness. The nanomembranes exhibit a breakdown current density up to 113 MA cm-2, with excellent thermal stability and electromigration resistance. These results demonstrate that mechanically exfoliated PdCoO2 flakes preserve the high crystalline and electronic quality of bulk crystals in the quasi-2D limit, providing a useful platform for mesoscopic transport studies and interconnect applications.
Periodically strained graphene on patterned substrates provides a versatile route to realizing moiré-like electronic structures through strain engineering. Here, we show that the interplay between a strain-induced pseudomagnetic field and a displacement-field-controlled scalar potential enables the formation of isolated narrow bands and multiple energy gaps near charge neutrality and at higher energies. Some of the low-energy bands exhibit nontrivial topology, carrying valley-opposite Chern numbers. Remarkably, despite a vanishing total Chern number, propagating in-gap edge states emerge in a wide range of nanoribbon geometries that preserve valley symmetry. We elucidate the distinct mechanisms responsible for edge states in the zero-energy and higher-energy gaps and demonstrate that they remain robust against variations in superlattice termination and moderate disorder, despite lacking conventional topological protection. Leveraging these properties, we propose device architectures in which an externally applied staggered potential electrically switches the zero-energy gap and its associated edge channels on and off. Furthermore, split-gate geometries generate topologically protected interfacial states that coexist with the edge modes and can be spatially reconfigured by gate voltages. These results establish strain superlattices as a powerful platform for engineering topological electronic states and electronic transport in graphene.
Sums of independent exponential random variables lead to the Erlang distribution, providing a direct probabilistic route from exponential waiting times to the integer-shape gamma law. This paper investigates how this classical construction changes when the exponential waiting-time density is replaced by the $q$-exponential density of nonextensive statistics. Our main result is an analytical asymptotic expression for the outflow of a mass-conserving cascade of reservoirs driven by a $q$-exponential waiting-time kernel. In the critical case $q=5/3$, the large-cascade flow rate converges to a stable Lévy density whose time argument is shifted by a Galilean-type transformation. This shifted Lévy law gives the asymptotic hydrograph of the cascade. We also found that for the entire regime $1<q<2$ the macroscopic dynamics are governed by $\alpha$-stable Lévy laws. This proves that anomalous non-Gaussian dispersion can emerge from pure mass-conserving convolutional chains without invoking fractional derivatives.
In large-scale real-time time-dependent density functional theory (TDDFT), preparing the ground-state electronic structure can be more expensive than the subsequent time propagation, limiting simulations of nonequilibrium electron dynamics in realistic systems containing thousands of atoms. This bottleneck is especially important for disordered materials, liquids, nanostructures, and heterogeneous condensed-matter systems, where nonlinear and strong-field phenomena such as high-harmonic generation and light-induced phase transitions require explicit real-time treatment. SALMON is an open-source first-principles code for light-matter interaction simulations based on real-time TDDFT on real-space grids, supporting massively parallel calculations with MPI combined with OpenMP or GPU acceleration. In SALMON 2.3, we implement a divide-and-conquer density functional theory (DC-DFT) scheme and combine it with a postprocessing method that reconstructs spatially extended Kohn-Sham orbitals of the entire system. These reconstructed global orbitals are used directly as initial states for the standard real-time, real-space TDDFT module of SALMON. The resulting workflow connects efficient DC-DFT ground-state preparation to conventional real-time TDDFT. The DC-DFT self-consistent-field procedure exhibits linear scaling with system size, addressing a major bottleneck in large-scale electron-dynamics simulations while retaining the robustness and broad applicability of SALMON's established time-propagation scheme. We describe the computational procedure, parallelization strategy, and input/output design. Weak-scaling tests using Si supercells on Fugaku confirm the linear-scaling behavior. Accuracy tests for a 512-atom amorphous Si system and a bulk H2O liquid system containing 4134 atoms demonstrate that the workflow enables practical large-scale real-time TDDFT simulations.
Low-dimensional ferroelectrics are attractive for their promising prospects in nanoelectronics. Compared with widely-used ferroelectric perovskites, most low-dimensional ferroelectrics exhibit several inborn weaknesses such as small bandgaps (mostly <2 eV, i.e. semiconductors-like) or faint polarizations (e.g. $<1$ $\mu$C/cm$^2$ for sliding ferroelectrics even if their bandgaps can be large). Here we experimentally demonstrate the room-temperature ferroelectricity of van der Waals WO$_2$Cl$_2$ . The well-tested d0 rule inherited from ferroelectric perovskites leads to a large dipole (~3 eÅ) from the off-center displacement of W$^6+$ ion and a wide bandgap of 2.80 eV. Its ferroelectricity is proved by multiple characterizations including second harmonic generation, piezoresponse force microscopy, and ferroelectric hysteresis loops. More interestingly, the exotic noncollinear dipole order is directly observed at the atomic level by integrated differential phase contrast scanning transmission electron microscopy. Our work paves an alternative route for low-dimensional ferroelectrics to pursue excellent ferroelectric performance and distinct physics of polarity.
Recent moiré experiments and numerical studies of interacting Chern bands have revealed fractional Chern insulators, charge-density-wave order, and superconductivity as proximate correlation-driven phases in topological systems. How these phases compete or intertwine, and how quantum geometry shapes their interplay, remain open questions. Here we present an analytic study of competing correlation-driven phases in a partially filled Chern band using a coupled-wire construction and bosonization. The key ingredient is the coexistence of interaction channels that favor, respectively, a fractional Chern insulator (FCI) and a closely related anti-FCI (aFCI) state. The aFCI channel is specific to lattice Chern bands and is enhanced by the quantum geometry of the underlying band structure. We show that when both FCI and aFCI scattering channels are present, their interplay generates an effective coupling that drives a superconducting instability near the FCI phase. The same mechanism can also favor a charge-density-wave phase, depending on microscopic parameters. Using a perturbative renormalization-group analysis, we obtain the phase diagram and identify a superconducting regime adjacent to the FCI phase. We further estimate the superconducting transition temperature and show that it is enhanced by quantum geometry. Our results establish quantum geometry as an organizing principle for the interplay among FCI, aFCI, and superconducting correlations.
Attractive three-body interactions have been reported for like-charged colloids in low-salt suspensions, based on both finite-element Poisson-Boltzmann calculations and direct experimental measurements, and have been proposed as a mechanism to drive colloidal clustering. However, these Poisson-Boltzmann calculations typically neglect charge regulation and higher-order many-body effects. Here, we construct machine-learned (ML) many-body interaction potentials for charge-regulating colloids, trained on finite-element Poisson-Boltzmann calculations, to accurately capture three-body and higher-order contributions. We find that the three-body contribution to the many-body potential as obtained from Poisson-Boltzmann calculations on isolated colloid triplets is strongly attractive, consistent with previous work, whereas the four-body contribution for an equilateral pyramid configuration of four colloids is repulsive. We then construct ML many-body potentials for charged colloids using finite-element Poisson-Boltzmann calculations on clusters of 13 colloids, and find that the incorporation of higher-body interactions weakens the cohesive nature of the interactions. We identify a parameter regime exhibiting gas-liquid or gas-solid phase separation using the ML potentials in molecular dynamics simulations. However, when we include clusters of 48 colloids in the training data, the cohesion diminishes further, and molecular dynamics simulations using these potentials no longer include broad phase separation in aqueous dispersions of charged colloids. Finally, we compute the potential of mean force of pairs and triplets of colloids using primitive model simulations. We find that the resulting potentials are in good agreement with those obtained from the Poisson-Boltzmann calculations, thereby supporting the validity of the Poisson-Boltzmann approach for determining many-body interactions.
We study plasmonic excitations in twisted bilayer graphene within a non-Hermitian framework that incorporates effective gain and loss. Using a non-Hermitian extension of the Bistritzer--MacDonald continuum model together with a biorthogonal Kubo formalism for the optical conductivity, we determine how the moiré electronic structure enters the plasmonic response of the active bilayer. We find that non-Hermiticity modifies the collective spectrum, yielding optical and acoustic plasmon branches, with the acoustic branch exhibiting strong subwavelength confinement. In the parity-time-symmetric configuration, gain--loss engineering can reduce the effective spatial damping and enhance the propagation length within the ideal linear model. The same regime produces strongly localized transverse-magnetic near fields. We argue that the enhancement is not a generic consequence of adding gain to a bilayer, but results from the combined influence of moiré-band reconstruction, biorthogonal optical matrix elements, and non-Hermitian modification of the plasmon pole. We also discuss the limitations imposed by disorder, substrate loss, gain saturation, and stability of the parity-time-symmetric regime. These results identify twisted bilayer graphene as a promising, but experimentally demanding, platform for tunable non-Hermitian plasmonics in moiré quantum materials.
Hard carbons are a class of disordered materials with widespread application in energy storage. Despite decades of research, their atomistic formation mechanisms have remained elusive, due to the difficulty of both in situ experimental characterization and first-principles simulations. Here, we describe the formation mechanism of hard carbon from the thermal decomposition of polyvinylidene chloride (PVDC), using first-principles-quality simulations with a bespoke machine-learned interatomic potential model. Our results indicate a two-stage process, consisting of (i) radical-mediated dehydrochlorination, which generates reactive unsaturated carbon sites, and (ii) progressive carbon-carbon cross-linking followed by thermally activated rearrangement into an extended sp$^{2}$-bonded network. We provide an atomistic account of non-hexagonal ring motifs emerging during pyrolysis, supporting the empirically-derived theory that these motifs induce the intrinsic curvature that frustrates graphitic ordering in hard carbons.
Reaching global agreement from purely local interactions is a defining problem of collective intelligence, and most models of it assume that all agents share a single communication protocol. We ask what happens when they do not. Using a Neural Cellular Automaton in which a population of cells must solve the density classification task, agreeing on a global majority that no individual can observe, we introduce ``languages'' as sub-populations that read one another's messages through a translation with a tunable ``linguistic distance''. We find that linguistic distance slows consensus, that it produces mild divergence between groups rather than full fragmentation, and that a collective whose shared rule was trained under diverse protocols is robust to mismatch; a homogeneously trained one is not. The findings hold on both a ring and a two-dimensional grid, and admit a natural reading as Ising relaxation, in which a foreign-language region acts as a boundary defect that leaves the system in a higher-energy, partially ordered state. These patterns are qualitatively consistent with effects reported in human group studies, suggesting that distance between communication protocols is a minimal mechanism sufficient to produce them, without anything language-specific.
We develop a band-structure-based theory of exciton-polaritons in a three-dimensional inverse-opal photonic crystal doped with semiconductor quantum dots. Starting from a symmetry-selected bright photonic branch near the photonic gap edge, we construct an exciton-photon Hamiltonian and obtain a lower-polariton band with a W-point global minimum and a nearby X-point van-Hove-enhanced density of states. We show that the W valleys determine the equilibrium Bose-Einstein condensation threshold, while the X-point saddle provides a finite excited-state capacity that renormalizes the critical temperature when the W-X offset is thermally accessible. By tuning the exciton resonance and the light-matter coupling, the relative W-X ordering can be reconstructed, leading to a strong variation of the critical temperature. We further formulate a momentum-resolved Boltzmann model for driven-dissipative kinetics. Under non-resonant pumping, reservoir feeding, radiative decay, and inter-sector relaxation can produce either W-dominated condensation, a mixed W-X regime, or an X-dominated nonequilibrium coherent state. Our results establish three-dimensional photonic-crystal polaritons as a platform where condensation is controlled not only by the band minimum but also by valley geometry, van-Hove-enhanced phase space, and relaxation pathways.
Internally heated LCST thermo-responsive gels can show self-sustained swelling and collapse oscillations through feedback between temperature-induced collapse and collapse-suppressed heating. In this work, a minimal two-variable model is developed by coupling gel swelling dynamics with a lumped thermal balance. The analysis shows that stable large-amplitude oscillations are mainly controlled by global bifurcations of limit cycles, rather than by the local Hopf bifurcation. The Hopf bifurcation is subcritical in the studied parameter range, leading to a broad coexistence region where a stable fixed point and a stable limit cycle are both possible. The oscillatory behavior remains robust for different heating-gate functions, indicating that local linear instability is neither necessary nor sufficient for self-oscillation. Fast-slow analysis further shows that the oscillation period is mainly governed by the cooling rate, while the amplitude is determined by the geometry of the swelling equilibrium manifold. These results clarify the bifurcation mechanism of thermo-responsive gel oscillations and provide guidance for controlling their period, amplitude, and waveform.
The superconducting diode effect offers a powerful probe into the fundamental symmetries of quantum materials. Recent studies on twisted graphene diodes have predominantly focused on bilayer or trilayer systems under out-of-plane magnetic fields. Here, we demonstrate both out-of-plane and in-plane driven Josephson diode effects in a magic-angle twisted four-layer graphene junction, i.e., an even number of layers. We observe the emergence of a diode effect at zero out-of-plane field, tuned by an increasing in-plane magnetic field. This result points to the presence of strong in-plane orbital coupling, which is highly sensitive to the specific layer parity of the structure. Our findings provide experimental insights into the symmetry-breaking mechanisms of even-layer twisted graphene, establishing in-plane magnetic fields as a vital tool for unravelling their microscopic properties.
Ferroelectric nematic (NF) liquid crystals exhibit polar symmetry and large polarization, giving rise to phenomena absent in conventional apolar nematics. We investigate NF liquid crystals confined to free-floating spherical shells with tangential boundary conditions, enforcing a total topological defect charge of +2. We conjecture that ferroelectric nematics avoid splayed configurations with half-integer defects, common in apolar nematic shells, instead concentrating the topological charge into escaped azimuthal +1 defects requiring only bend and twist. Indeed, at room temperature in the NF phase, our thin RM734+DIO shells with inner and outer aqueous poly(vinyl alcohol) solutions develop an azimuthal director field around two antipodal +1 bend-twist defects. The non-centrosymmetric nature and the azimuthal director configuration of the shells in the NF phase are confirmed also through second-harmonic generation microscopy. At intermediate temperature the antiferroelectric Nx phase generates a new exotic texture rife in zigzag lines in the shells. In the regular N phase at high temperature, the shells develop the usual four +1/2 disclinations located near the thinnest point. Our study highlights the rich platform offered by spherical shells to study the behavior of exotic liquid crystals subject to topological constraints, possibly opening new paths to apply the highly responsive ferroelectric nematic phase
Fe$_3$GaTe$_2$ is van der Waals (vdW) ferromagnet with a Curie temperature $T_C$ ranging from 350 K to 380 K, followed upon cooling by a ferrimagnetic transition near room temperature. Substituting Fe with Co was previously reported to induce antiferromagnetism (AFM) at a Co fraction dependent Neel temperature $T_N$. In this work, we confirm the overall phase diagram of the Fe$_{3-x}$Co$_x$GaTe$_2$ series as a function of $x$ and temperature via magnetization and electrical transport measurements. For $x \simeq 0.6$ the Hall effect is observed to mimic the magnetization as the AF ground state is suppressed by the external magnetic field via a metamagnetic transition, thus displaying an anomalous Hall response. At low temperatures, we also observe a pronounced topological Hall signal peaking at $\mu_0H$ = 4 T, or within the metamagnetic transition region of fields. This observation points to the presence of magnetic field-induced chiral spin textures, such as skyrmions upon approaching magnetization saturation. Magnetic force microscopy (MFM) reveals the emergence of nearly circular magnetic domains, with diameters on the order of 100 to 200 nm, within the antiferromagnetic phase. A detailed analysis of the MFM images indicates that the topological Hall effect is closely linked to the field-induced stabilization of magnetic domain structures, likely exhibiting chiral textures. This observation suggests the possible formation of skyrmions already in the AFM phase, i.e., AFM skyrmions, that evolve into ferromagnetic (FM) ones upon increasing the magnetic field. Consequently, Co-doped Fe$_3$GaTe$_2$ might provide a platform to investigate the transformation of skyrmions, initially coupled antiferromagnetically into ferromagnetic skyrmions, and to explore its impact on the topological and skyrmion Hall effects.
We investigate the magnetic properties of a monolayer of Fe3GeTe2 as a function of the lattice constant by combining first-principles calculations with atomistic spin dynamics simulations. The calculated magnetic exchange interactions reveal a competition between ferromagnetic and antiferromagnetic couplings, with the latter being significantly strengthened under compressive strain. Stochastic Landau-Lifshitz-Gilbert simulations reveal a substantial decrease in the Curie temperature with decreasing lattice constant, and predict a transition of the magnetic ground state from a ferromagnetic configuration to a conical spin-spiral state. We introduce a simple spin-model which explains the stabilization of the spiral phase due to competing exchange interactions. We found multiple magnetic phase transitions involving ferromagnetic, conical spin-spiral, and planar Neel states, depending on both the lattice constant and the temperature. The absence of Dzyaloshinskii-Moriya interactions is found to significantly reduce the Neel temperature, while leaving the Curie temperature largely unaffected. Our findings reveal the importance of lattice distortions in controlling complex magnetic phases and their evolution with temperature.
Altermagnets (AMs) combine momentum-dependent spin splitting with zero net magnetization, making them promising for spintronics. Periodic driving enables dynamic symmetry engineering beyond static, material-specific control. We show that Floquet engineering in 2D $d$-wave AMs with out-of-plane Néel order and Rashba spin-orbit coupling unlocks equilibrium-forbidden transport responses. Monochromatic driving produces purely out-of-plane magnetization, yielding longitudinal anisotropic magnetoresistance (AMR) and an anomalous Hall effect, whereas bichromatic driving generates both in-plane and out-of-plane magnetizations and additionally activates transverse AMR via the second harmonic of the secondary beam. Comparable static magnetic fields would require hundreds of tesla, avoided in Floquet driving. These effects persist across linear, circular, and mixed light polarizations and are tunable via light parameters. Our results establish multi-color Floquet engineering for controlling magnetization and symmetry-protected transport in AMs.
The (deterministic) Landau equation captures the mean long-term evolution of dynamically hot long-range interacting finite-$N$ systems. Though successful, this kinetic equation fundamentally ignores dynamical fluctuations. Building upon Large Deviation Theory, we present a physically-consistent system of Langevin equations that simultaneously recovers the mean Landau dynamics and accurately captures the corresponding fluctuations among different realizations. We show in particular how these Langevin equations can be derived from Rostoker's principle in the limit of weak two-body deflections. We extensively validate these equations against tailored direct $N$-body simulations, showing an exquisite level of agreement.
Cuprate superconductors exhibit the highest observed superconducting $T_c$ at atmospheric pressure. However, the magnitude of $T_c$ varies significantly between different cuprates. At present, it is unclear what properties of the crystal structure affect $T_c$ most strongly, yet such an understanding must underpin any efforts toward high-$T_c$ materials design. To address this issue, we perform a large scale systematic study, employing a combination of data collection, state-of-the-art numerical methods, and statistical analysis. We identify about 40 different cuprate compounds, and we compile detailed data about their $T_c$'s and crystal structures from literature and the available databases. Using a fully automated procedure, for each compound we compute the DFT bandstructure and downfold it to two of the most commonly studied low-energy lattice models, namely the single-band Hubbard and the three-band Emery models. The downfolding is based on the approach of MLWFs and cRPA. Finally, we apply a thorough and unbiased statistical analysis to investigate the correlations between the experimentally measured $T_c$'s and the computed parameters of our theoretical models. Our data indicates that more sophisticated models might be needed to describe all cuprates on the same footing. Nevertheless, we find that $T_c$ scales well with simple functions of model parameters. We confirm a previously observed trend that $t'$ in the single-band model correlates with the experimental $T_c$, and we find that $T_c$ appears to vanish below a finite value of $t'$, in agreement with recent ground-state calculations for the Hubbard model. However, we find that the coupling strength also plays a role: throughout our entire dataset, $T_c$ correlates the most with the Coulomb coupling on the $p$-orbitals in the 3-band model, highlighting the importance of the oxygen sites in the copper-oxide planes.
Signal-driven motion is widespread in natural and artificial systems, yet quantitative characterization of how transient chemo-hydrodynamic waves are converted into mechanical driving forces remains limited. Here, we investigate the self-propulsion of a MXene sheet asymmetrically coated with catalase in hydrogen peroxide solution. By combining dual-view particle image velocimetry experiments and numerical simulations reveal that active motion of the sheet is driven by chemo-hydrodynamic waves and exhibits direct-wave motion, the driving force of which is analyzed in terms of the shear stress on the sheet surface caused by chemo-hydrodynamic waves. This work suggests theoretical principles for designing and controlling hydrodynamically driven active motion.
Perovskite oxides ABO$_3$ host a rich interplay of charge, spin, lattice, and orbital degrees of freedom, giving rise to diverse quantum phenomena. In low-dimensional ABO$_3$, reduced symmetry can induce exotic quantum effects such as the two-dimensional electron gas and unconventional superconductivity. Using first-principles density functional theory, tight-binding modeling, and symmetry analysis, we show that ultrathin two-dimensional (2D) ABO$_3$ films -- exemplified by SrTiO$_3$ -- naturally break inversion symmetry, producing a spontaneous out-of-plane bulk photovoltaic (BPV) effect. This differs from previous studies on in-plane BPV current signals and is more applicable and experimentally detectable. Such an effect is highly tunable via thickness, strain, surface termination, crystallographic orientation, and Moiré twisting. These findings are broadly applicable to a wide range of 2D perovskite and other layer-resolved oxides.
Dynamic qubit routing is emerging as a promising architectural path for semiconductor quantum processors. Charge carriers can be rapidly moved around on a chip using traveling-wave potentials known as conveyors, preserving the spin state with high fidelity. Originally developed for spin transport, conveyor-mode shuttling may also offer opportunities for performing qubit operations directly controlled by the motion itself. Here, we demonstrate coherent single- and two-qubit control by conveyor-mode electron shuttling, using two conceptually different approaches. First, conveyor electric-dipole spin resonance (conveyor EDSR) achieves high-fidelity rotations by resonantly shuttling spins through transverse magnetic-field gradients at their mean Larmor frequency. Second, conveyor diabatic gates exploit quantization-axis tilts for tunable bang-bang control. Combining diabatic conveyor transport with exchange activation controlled by the motion directly yields a variety of effective two-qubit interactions selectable via the shuttling speed and distance. These experimental results motivate an architectural paradigm of reconfigurable and transport-driven spin qubits.
Matter can organize not only through forces, but also through the information its constituents acquire from their surroundings. Here we use perceptive Brownian particles as a minimal model to isolate nonlocal sensing as an organizing principle for nonequilibrium matter. The particles undergo purely Brownian motion, with no mechanical interactions, self-propulsion, alignment, or auxiliary fields. Their only coupling is informational, through diffusivity regulated by density measured over a finite perception zone. Whereas local sensing, when unstable, produces conventional long-wavelength demixing, nonlocal perception restructures the instability spectrum, introducing finite-wavelength patterning and nonlinear bubbling instabilities. More fundamentally, it reshapes the ordering pathway by assembling a cascade of instabilities: macroscopic demixing creates dense domains, finite-wavelength modes pattern them internally, and nonlinear feedback hollows them into void bubbles. This produces hybrid phase separation, where a macroscopic dense phase coexists with a dilute background while retaining ordered internal microstructure, whose symmetry, anisotropy, and length scales are selected by the perception kernel. These results establish information acquisition as a constitutive principle of nonequilibrium matter, capable of governing both phase stability and the dynamical pathways through which order emerges.
We have developed a machine learning model for critical cooling rates for metallic glasses based on computational properties. We compare results for features derived from easy-to-compute functions of elemental properties to more complex physically motivated properties using ab initio, machine-learning potentials, and empirical potential molecular dynamics methods. The established approach enables property acquisition across a diverse range of alloys. Analysis of various features for 34 alloys from 20 chemical systems shows that the best model for critical cooling rates was learned from one elemental property-based feature and three simulated features. The elemental property-based feature is an ideal entropy value based on alloy stoichiometry. The simulated features were acquired from estimates of energies above the convex hull, changes in heat capacity, and the fraction of icosahedra-like Voronoi polyhedra. Models were assessed through a demanding cross validation test based on repeatedly leaving out full chemical systems as test sets and had an $R^2$ of 0.78 and a mean average error of 0.76 in units of $[log_{10}(K/s)]$. We demonstrate with Shapley additive explanation analysis that the most impactful features have physically reasonable influence on model predictions. The established methodology can be applied to other high-throughput studies of material properties of diverse compositions.
We study the dynamics of recombination, optical orientation, and optical alignment of excitons in ensembles of CsPbI$_{3}$ nanocrystals (NCs), synthesized in a glass matrix. In large NCs with size exceeding 16 nm, the low-energy photoluminescence is contributed by the emission of indirect in real space excitons formed by spatially separated electrons and holes, which are localized at the NC/glass interface. The recombination dynamics of an ensemble of such excitons extends from tens of nanoseconds to microseconds and exhibits a power-law dependence. Their optical alignment and optical orientation reveal a peculiar spin dynamics caused by excitons influenced by the exchange interaction, varying by orders of magnitude. We develop a theory of the polarized photoluminescence of triplet excitons, taking into account the interplay between the electron-hole exchange interaction, their Zeeman effect, and their hyperfine interaction with the nuclei. This model reveals that for the excitons with the smallest exchange splitting we reach the regime, where the exciton fine structure becomes dominated by the hyperfine interaction with the random nuclear spin fluctuations in the NCs.
Colloidal smectics -- layered structures formed in dense suspensions of rod-like particles -- often exhibit grain boundaries, across which the layer orientation changes by $90^{\circ}$. Motivated by this feature, we develop a layer-based topological framework that treats orthogonal grain boundaries as constituents of the ground state rather than as exceptional defect structures. Extending the layer-based approach for ordinary smectics, we reduce the smectic structure to layers, half-layers, and domain walls. We classify the topology of defects and their combination rules based on this structure. In two dimensions, point defects are described by semi-directed cycle graphs. Although the disclination charge remains a valid topological invariant, it does not uniquely classify defects, as distinct graphs may share the same charge. In three dimensions, line defects are classified by their transverse graph structure, while point defects exhibit qualitatively different behavior. In particular, we show that the hedgehog disclination charge is not a topological invariant, but instead varies continuously under smooth deformations of the layer structure.
Defect and heteroatom engineering offer powerful routes for tuning the electronic and magnetic properties of graphene, yet the role of specific peripheral nitrogen topologies around graphene voids remains insufficiently understood. Here, spin-polarized first-principles calculations were performed to investigate how four heterocyclic -- like peripheral nitrogen configurations -- pyridinic, pyridazinic, pyrrolic, and pyrazolic modify the structural stability, charge redistribution, electronic structure, and magnetic response of graphene containing a central void. Among the four peripheral N configurations, the pyridinic N provides the most favorable structural-energetic balance among the investigated motifs. Bond-length analysis reveals that nitrogen topology strongly controls local lattice reconstruction. Charge-density, charge-density-difference, and Bader analyses demonstrate that the peripheral N atoms act as electron-accumulating centers and reshape the local electronic environment around the vacancy rim. Spin-resolved band structures show that pyridinic, pyridazinic, and pyrrolic configurations retain metallic or near-metallic defect-state character, whereas pyrazolic graphene opens a narrow band gap. Magnetic analysis further reveals that pyrazolic graphene is spin-compensated, with zero net magnetization, unlike the other systems, which possess finite spin-polarized moments. Spin-density and SPDOS analyses indicate that the magnetism originates from N-modulated vacancy-edge states involving both N 2p and neighboring C 2p orbitals. These findings establish peripheral nitrogen topology not merely as a structural defect descriptor, but as a deterministic defect-chemical switch, offering a metal-free route to pattern active spintronic and semiconducting domains directly into the graphene lattice through controlled vacancy-edge nitrogen coordination.
We study a mobile impurity coupled to a Kitaev chain with chemical-potential disorder and ask whether the impurity behavior distinguishes different regimes of the host system. Exact diagonalization calculations for small periodic chains shows that in the deep topological regime the impurity localizes only partially, with a smooth increase of $\mathrm{IPR}_d$, whereas in the deep trivial regime it undergoes a much sharp transition to nearly single-site localization. For open chains at strong interaction, DMRG shows edge-localized impurity density near the Kitaev sweet spot. With increasing chemical potential, the impurity weight spreads into the bulk and eventually becomes almost uniform. We explain the edge preference analytically from the Majorana-dimer structure: a bulk impurity rearranges two neighboring dimers, while an edge impurity affects only one. Disorder competes with this clean edge bias and can pin the impurity in the bulk. Thus, the impurity is sensitive to the regime of the host system, although we do not find a strict one-to-one correspondence between the impurity localization pattern and the host topology. Instead, the disorder-averaged behavior suggests only an indirect correlation between impurity localization and the underlying phase of the chain.
The interplay of superconductivity, band topology, and spontaneous time-reversal-symmetry breaking (TRSB) is expected to enable topological superconducting boundary states. FeTe0.55Se0.45 provides a promising single-material platform because it combines superconductivity, nontrivial band topology, and spontaneous magnetization in the superconducting state. Here we report evidence for a boundary-mediated superconducting transport response in exfoliated Fe(Te,Se) devices. Polar Kerr measurements show that TRSB emerges below TKerr < Tc and coexists with superconductivity across multiple compositions, providing an independent symmetry-breaking scale for transport. Using crystallographically sharp, continuous edges and side-surface-dominant contacts, we find that topological FeTe0.55Se0.45 exhibits an anomalous conductance plateau absent in topologically trivial FeTe0.40Se0.60 and Fe1.02Te0.55Se0.45 under comparable measurements. This plateau requires uninterrupted sharp edges connecting source and drain, persists over micrometer-scale separations far exceeding the bulk coherence length, shows strongly suppressed thermal broadening, and collapses when the drain is moved to the top surface. Its temperature evolution follows the TRSB scale: the plateau remains weakly broadened below T*Kerr and disappears near TKerr rather than Tc. These doping-selective, edge-geometry-dependent, TRSB-correlated, and long-range nonlocal signatures establish experimental criteria for identifying boundary-mediated superconducting transport in FeTe0.55Se0.45 and motivate phase-sensitive and theoretical studies of its microscopic origin.
This article describes recent progress in understanding highly stable glasses prepared by physical vapor deposition and provides perspective on further research directions for the field. For a given molecule, vapor-deposited glasses can have higher density and lower enthalpy than any glass that can be prepared by the more traditional route of cooling a liquid, and such glasses also exhibit greatly enhanced kinetic stability. Because vapor-deposited glasses can approach the bottom of the amorphous part of the potential energy landscape, they provide insights into the properties expected for the ideal glass. Connections between vapor-deposited glasses, liquid-cooled glasses, and deeply supercooled liquids are explored. The generality of stable glass formation for organic molecules is discussed along with the prospects for stable glasses of other types of materials.
Thermodynamic uncertainty relations establish fundamental bounds between current fluctuations and entropy production in nonequilibrium systems. In hybrid normal superconducting conductors, transport is governed by the coexistence of quasiparticle transmission and Andreev reflection, where electron hole conversion transfers charge through the superconducting condensate. Using the Anantram Datta scattering formalism, we decompose the charge current and zero-frequency noise into Andreev, quasiparticle, and interference contributions. Although the interference term prevents a simple additive bound at the level of individual noise components, we show that the nonequilibrium excess noise admits a positive representation. This allows us to prove a hybrid quantum thermodynamic uncertainty relation valid for an arbitrary real superconducting gap. Our result extends the pure Andreev quantum TUR to regimes where quasiparticle and Andreev processes coexist, clarifying how superconducting coherence reshapes current fluctuations while preserving a universal dissipation precision constraint in hybrid quantum conductors.
The Fermi polaron, formed by an impurity interacting with a surrounding Fermi sea, exemplifies the canonical quasiparticle concept as a cornerstone in our description of quantum many-body systems across a wide range of energy scales. Experiments on atomic quantum gases have provided profound insights into the universal nature of the Fermi polaron. While most previous studies have focused on the case of zero impurity momentum, finite-momentum properties have remained largely uncharted. Here, we investigate the moving Fermi polaron by combining a novel Raman acceleration scheme with high-precision radio-frequency spectroscopy, exploring the quasiparticle dispersion relation over a wide range of momenta. We compare our measurements of energy shifts and spectral linewidths with a microscopic theory and reach quantitative agreement for all momenta. For low momenta, we find the energy of the moving polaron to be fully consistent with the Fermi liquid picture of a dressed particle with a constant effective mass. At high momenta, the polaron approaches the behavior of a weakly interacting bare particle, featuring small energy shifts and weak broadening. For intermediate momenta, broadening is generally larger and, most strikingly, the behavior differs for attractive and repulsive polarons. While the repulsive polaron exhibits a smooth connection between both regimes along with a monotonic change of the energy shift, the attractive case shows a peculiar non-monotonic behavior. With increasing momentum, the attractive polaron enters a regime where its energy deviates from the constant effective mass expression and broadening suddenly increases. By comparing this observation with theory, we show that this abrupt behavior coincides with the attractive polaron entering a molecule-hole continuum, where it is no longer the ground state. We interpret this as a motion-induced polaron-molecule transition.
Quantum capacitance (QC) has recently emerged as a promising tool for parity readout in topological qubits based on Majorana bound states (MBSs). Here, we show that this capability can be extended further: by employing an auxiliary quantum dot (QD) as a sensor, we demonstrate that QC measurements simultaneously resolve two fundamental figures of merit of the device, the ground-state energy splitting and the MBS overlap, thus providing direct access to the underlying internal degrees of freedom. Using a low-energy effective model, we provide analytic expressions for these two figures of merit that can be determined from the relative position and magnitude of the QC maxima in the even and odd parity sectors as functions of the auxiliary-QD energy. We further validate these results with a microscopic model of QD-based Kitaev chains and qubits, demonstrating their applicability in a wide range of MBS-based devices. Our results establish QC as a probe of MBS quality and a tool for topological-device optimization that preserves fermion parity.
Nonreciprocal interactions underpin diverse nonequilibrium phenomena, yet the effects of quenched nonreciprocity in extended systems remain largely unexplored. We study a $2d$ Ising model with randomly distributed nonreciprocal bonds at density $p$, finding a continuous nonequilibrium transition down to $T=0$ with finite $p_c$. A gauge-invariance argument yields $p_c(T)\leq1/2$, and mean-field theory predicts a qualitatively correct phase diagram. Unlike equilibrium disordered models, the zero-temperature dynamics remains active, with athermal rare-region reversals and logarithmic "activated" coarsening.
We show that an integer quantum Hall setup proximized by superconductors can exhibit subgap thermoelectric effects in the linear-response regime when triplet superconducting correlations are present. We devise a minimal setup that enables a nonzero Seebeck effect mediated by Andreev processes and predict that the corresponding Seebeck coefficient can reach values on the order of $k_B/e$ in the middle of the quantum Hall plateau. We analytically show that both triplet correlations and spin polarization are essential for the emergence of the thermoelectric effect, which arises despite the linear band dispersion of the edge states. We characterize the dependence of the thermoelectric response on the Hamiltonian parameters and the system's temperature regime.
Molecular dynamics simulation of plasma-surface interactions requires an interatomic potential that is simultaneously accurate, computationally efficient, and able to describe many elements and bonding types in reactive systems. In principle, a foundation model for machine-learned interatomic potential (MLIP) can meet these demands. We explore the use of the Universal Models for Atoms (UMA) model, developed by Meta FAIR, for the interactions of oxygen plasma species on a multilayer of WS$_2$, a promising 2D material. Starting from the pretrained uma-s-1p1 model under the Open Catalyst 2020 (OC20) task, we apply an iterative fine-tuning loop with maximally diverse configuration sampling using Smooth Overlap of Atomic Positions (SOAP) and Farthest Point Sampling (FPS); DFT labeling at the PBE+D3+$U$+spin level; and fine-tuning on energy, force, and stress labels. Even in the absence of fine-tuning, the pretrained model reproduces the production-scale observables of interest, namely, chemisorbed S and O coverage under 15eV O$^+$ and O$_2^+$ bombardment. These results were obtained without spin polarization and Hubbard $U$ correction. Nonetheless, fine-tuning reduces the energy and force mean absolute error (MAE) to $4.5\times10^{-3}$eV/atom and $0.076$eV/angstrom, respectively.
Quantum geometry has emerged as a unifying concept across condensed matter physics, underlying phenomena from nonlinear topological response to flat-band superconductivity. While usually formulated within band theory, quantum geometry remains meaningful in disordered interacting systems~\cite{resta1999electron}. Here we show that the first negative moment of the optical conductivity -- proportional to the zero temperature quantum Fisher information as a bound on the multipartite entanglement -- provides an experimental probe of quantum geometry across the three-dimensional metal-insulator quantum phase transition in phosphorus-doped silicon. We extract a quantum geometric length $\ell$ that characterizes the local wavefunctions. Far from the transition, this length is almost coincident with the Bohr radius of the hydrogenic phosphorus donors, reflecting their atomic-scale quantum geometry. Approaching the transition, $\ell$ is enhanced, but does not diverge continuously like a correlation length; it jumps discontinuously to infinity at the critical point. This reflects the UV domination of the sum rule in three dimensions that renders it insensitive to the critical fluctuations driving the diverging dielectric constant and correlation length. Its enhancement demonstrates a ``puffing" of the donor polarizability volume of quantum geometric origin, which yields a quantum geometric corrected Clausius-Mossotti description in closer agreement with the diverging dielectric response and provides a quantum mechanical foundation for the century-old Herzfeld metallization criterion.
Fermions with opposite spins occupying half-filled conjugate Chern bands exhibit interaction physics distinct from their multi-component Landau-level counterparts with the same chirality. This is largely due to unavoidable inter-species collisions that preclude the Halperin-type wavefunctions available in multi-component Landau levels. In this work, we propose and evaluate a variational wavefunction for a fractional quantum spin Hall state with Z_4 topological order in a pair of conjugate Landau levels. This Z_4 topological order has previously been shown to be the minimal topological order compatible with charge conservation, $S_z$ conservation, time-reversal symmetry, and the fractional spin Hall conductance 1/2 suggested by previous twisted MoTe$_2$ experiments. Our construction is based on the condensation of an anyonic exciton formed by the neutral fermionic excitations in a decoupled pair of Moore-Read Pfaffian state and its conjugate. By coupling the chiral and anti-chiral Ising conformal field theories associated with the two spin species, we introduce a variational mass parameter in the Z_4 trial wavefunction that captures the inter-spin-species s-wave pairing of composite fermions alongside the intra-spin-species p-wave pairing. We assess the energetics of this trial state using Monte Carlo sampling on a spherical geometry. Because the coupled state intrinsically involves Landau-level mixing, we explicitly evaluate the resulting kinetic energy penalty. Our phase diagram reveals that the proposed Z_4 state becomes energetically favorable in a sizable region of parameter space, over both the decoupled pair of conjugate Pfaffian states and an alternative exciton condensate state. These results provide a concrete microscopic wavefunction realization of this Z_4 fractional quantum spin Hall phase, and propose a route to constructing additional families of such states.
Stationary wave functions at the integer quantum Hall transition are known to be multifractal, but the exact form of the multifractality spectrum has remained a subject of debate. While conformal field theory arguments predict a parabolic law, numerical simulations show deviations from parabolicity. We resolve this discrepancy by pointing out that powers of the local wave intensity fail to obey the Gaussian Free Field and Abelian Fusion Hypothesis assumed in earlier analysis. Rather, due to the non-Abelian nature of the underlying effective field theory, wave intensity correlators are dressed by insertions of background charge distributed uniformly in space. An exact expression for the $q$-moments of point-contact generated eigenstates is presented. Numerical tests are performed for the critical Chalker-Coddington network model on a rectangular torus. Our results are in precise agreement with the predictions of conformal symmetry realized as a level-4 current algebra.
Subdiffusive fractional Brownian motions produce localized aggregation when particles are stopped at exponentially distributed times. In applications where clumping and long-distance dispersal events are observed simultaneously, such as in some instances of seed dispersal, this model fails to describe the tails of the data. The resulting redistribution kernel has only an exponentially decaying tail, whereas a heavier tail is needed for modeling the long-distance dispersal observed. Here we propose a model in which subdiffusive particles stop at exponentially distributed times, but with a rate parameter that is Gamma distributed. This heterogeneity in stopping rates causes the density of final radial positions to have a heavy-tailed distribution. Our model retains the strong localized clumping characteristic of subdiffusive fractional Brownian motion while simultaneously generating the heavy tails required for realistic long-distance dispersal.
Kagome lattice crystal systems present interesting symmetry-protected band structure features such as flat bands, van Hove singularities, and linearly dispersing Dirac/Weyl points that provide a rich playground for strongly correlated electron physics. Motivated by the rich properties and charge density wave evolution through the 1-6-6 series of compounds, we present our results in single crystal growth and characterization of the of Lu$_{1-y}$Y$_y$(Nb$_{1-x}$Ta$_x$)$_6$Sn$_6$ double-alloy system, including evolution of the charge density wave transition, electrical transport behavior and resultant phase diagrams. Using a novel growth technique, the synthesis of high quality crystals with extended length along the crystallographic $c$-axis allows us to follow the gradual suppression of charge density wave (CDW) order with Y substitution, and observe quantum oscillations in both magnetoresistance and magnetization throughout the series. We review the evolution of Fermi surfaces, effective masses and quasiparticle dispersion through the alloy series, revealing a decrease in size of Fermi surfaces that trends with both substitutions, and a scaling between effective mass and Fermi wavevector that suggests a regime with Dirac-like dispersion. The ability to fine-tune crystallographic, ground state and electronic dispersion properties of the \lit\ system with minimal impact of disorder opens a path torward further understanding the nature of the kagome lattice and its novel states and interactions.
The pair-density wave (PDW) state, characterized by Cooper pairing at finite momentum, is a long-sought superconducting phase whose possible realization in Kagome metals is particularly intriguing in the strongly correlated regime. We investigate superconductivity in the extended $t$-$J$ model on the Kagome lattice and show that the symmetry-enforced sublattice structure of the Bloch wavefunctions gives rise to a rich landscape of unconventional pairing states. When the chemical potential is tuned to a sublattice-pure ($p$-type) van Hove singularity (vHS), a PDW state inevitably emerges. Near the $m'$-type vHS, which features opposite mirror eigenvalues to the conventional $m$-type vHS, intraband chiral, uniform, and nematic pairing states compete. When further-neighbor hoppings drive the $p$- and $m'$-type vHSs towards near degeneracy, phase frustration in the interband pairing channel stabilizes a chiral interband state. Our results reveal the previously overlooked $m'$-type vHS as a distinct route to unconventional superconductivity rooted in electronic correlations and mirror-symmetry-constrained Bloch wavefunctions.
Accurate initialization of polymer architectures remains a critical yet underappreciated determinant of reliability in molecular dynamics simulations of soft matter systems. Errors in coordinate generation and connectivity assignment frequently introduce artificial stresses, topological inconsistencies, and numerical instabilities that propagate throughout simulation trajectories. Here, we present a topology-preserving Python framework for generating star and cyclic polymer architectures with deterministic bond connectivity, exact ring closure, excluded volume enforcement, and spatial-hashing-based overlap detection. The algorithm produces LAMMPS-compatible data files under atom style full without reliance on third-party libraries. We demonstrate that the generated structures exhibit mechanical stability at initialization, suppressed artificial energy spikes, and consistent thermodynamic behavior during equilibration. Benchmark comparisons against naive random placement schemes reveal significant reductions in overlap-induced instabilities and improved reproducibility of structural and dynamical observables. The presented framework establishes initialization as a controlled physical boundary condition rather than a stochastic preprocessing step, thereby enhancing the reliability and reproducibility of polymer molecular dynamics simulations.
This review examines the theory of superconductivity in systems with {\em singular dynamical} electron-electron interaction and contrasts it with a conventional BCS superconductivity. Examples include metals near a Quantum Critical Point, quantum dots and system near a localization (Mott) transition. We show, that the singular interaction destroys the traditional separation of energy scales, invalidating the significance of Cooper logarithm, and, as the consequence, the whole BCS framework. We explore the universal model with dynamical interaction $\Gamma (\Omega) \propto 1/|\Omega|^\gamma$ (the $\gamma$-model) and analyze the competition/interplay between the tendency towards pairing and towards non-Fermi liquid behavior. We show that superconductivity still develops once the pairing interaction exceeds a certain threshold, but the origin of the pairing is qualitatively different from that in BCS theory. We show that the gap equation at $T=0$ has an infinite set of topologically distinct solutions. These solution disappear one by one once the pairing interaction becomes non-singular (massive). We review the physics underlying these phenomena and outline future directions.
Alloyed aluminium nitride compounds constitute a promising class of ferroelectric materials due to their high remanent electric polarizations, large band gaps and structural compatibility with a growth on Si substrates. Such materials nonetheless possess large coercive fields and polarization-switching mechanisms are still debated. We performed first-principles calculations to investigate the stability of isolated point defects in the vicinity of a vertical inversion domain wall (DW). We found that all studied defects are energetically more stable at or near the DW. Depending on their nature, they can have the opposite effect on the displacement of the DW, which occurs during polarization switching. Finally, we discuss how likely the different defects may be responsible for leaking currents and degraded ferroelectric properties.
Today's transistors dictate the voltage and charge scales for both logic and memory. While AI systems are recognized to be limited by memory energy, the dominant share of the energy is expended in the intrachip interconnects whose voltage and charge scales are set by transistors. The energy scaling challenges of transistors can be attributed to simultaneously meeting high current density, high current/impedance modulation, and the inability to lower voltages. Hence, a new logic element that lowers the voltage and charge needs is a priority, not only for lowering logic power but also memory access power. Here, we propose a novel 3-terminal logic element for low energy computing, a solid-state transcapacitor (TCAP). A TCAP is a solid state displacement current modulator realized by a gate which controls the charge-voltage relationship of the channel. Unlike transistors, TCAPs eliminate the dissipative transport current, are not bound by the Boltzmann current modulation limit, and operate with displacement currents limited only by the polarization response and contact resistance. Hence, TCAP circuits may simultaneously overcome the voltage, current density, and current modulation limits of CMOS. We describe a solid state TCAP using a piezoelectric transcapacitor in which a gate-controlled stressor modulates the capacitance of a polar channel via electromechanical coupling. This device achieves inversion and gain, essential for logic, and is functionally equivalent to a 1T-1C memory cell, enabling dense memory. Using voltage scaling, capacitive energy recovery, and high polarization densities of polar materials, the logic based on TCAP offers a pathway to 100 fold lower energy consumption with a delay comparable to ultimately scaled CMOS devices. This approach provides a new potential pathway for low-energy computing beyond the limits of transistors using electro-mechanics and multiferroics.
Uranium dioxide ($UO_2$) serves as the predominant nuclear fuel globally. Despite its widespread application, evaluating its mechanical, thermophysical, and species transport behaviors under extreme accident scenarios remains a formidable challenge for conventional experimental and computational methods. To address this, we develop a versatile machine learning interatomic potential (MLIP) for $UO_2$ by proposing an efficient training strategy, termed the "FAST" (Fine-tuning via Active-learning and Superionic-Targeting) framework. Our "FAST" framework integrates superionic transition-targeted sampling with active learning-enhanced exploration to efficiently construct a highly compact dataset comprising only 500 configurations for fine-tuning a foundation model. By rigorously accounting for the strong correlation of uranium 5f electrons and antiferromagnetic (AFM) ground state during DFT labeling, we train a robust DFT-level neuroevolution potential (NEP) for $UO_2$. We demonstrate that this NEP exhibits superior predictive capability for various physical properties, encompassing mechanical, defect, thermophysical, and ionic diffusion over an extensive temperature range. Moreover, this NEP accurately captures the anomalous thermophysical and kinetic behaviors triggered by superionic transition. Specifically, it reproduces both the $\lambda$-peak in linear thermal expansion coefficient (LTEC) and "non-Arrhenius" anionic diffusion. Crucially, NEP-based simulations elucidate the microscopic origins underlying these anomalies: the pre-melting of oxygen sublattice and resultant kinetic decoupling between U and O ions.
We study saturation in two-dimensional binary mixtures of fixed-orientation regular polygons deposited by random sequential adsorption (RSA). Polygons with (n\in{3,\dots,23}) are considered under an equal-area constraint, isolating shape effects from size effects. Saturated configurations are generated using an adaptive split-voxel RSA algorithm with exact overlap detection based on the Separating Axis Theorem, allowing a systematic exploration of all distinct binary shape combinations. Jamming coverage depends strongly on polygon geometry despite identical particle area. Triangle-containing mixtures yield the lowest coverages, whereas axis-aligned squares achieve the maximum observed value, (\phi_{\rm sat}\approx0.5646). Even-sided polygons consistently outperform neighboring odd-sided polygons, revealing a parity effect associated with centrosymmetry. For odd (n), the pure-species saturation approaches the disk RSA limit (\phi_{\rm disk}\approx0.547) from below according to (\phi_{\rm sat}(n)=\phi_{\rm disk}-c/n^\alpha), with (\alpha\approx2.41\pm0.06), close to the (1/n^2) scaling expected from isoperimetric arguments. Even-sided polygons instead converge from above, indicating a symmetry-driven packing advantage that disappears only in the circular limit. These trends are explained through the excluded area (E_{AB}=\mathrm{Area}(P_A\oplus(-P_B))), computed analytically via Minkowski sums. Centrosymmetry fixes (E_{AA}=4A_0) for even (n), whereas odd polygons have a larger excluded area that decreases monotonically toward the same limit as (n\to\infty). Saturation coverage is negatively correlated with excluded area, consistent with a mean-field RSA description and directly linking geometric symmetry to jamming efficiency.
Antiferromagnets (AFMs) are promising for high-density spintronics due to their zero net magnetization, yet conventional AFM spintronics relies on spin splitting-a requirement that excludes many collinear AFMs with compensated spin sublattices. Here we exploit the sublattice degree of freedom in a honeycomb AFM with zero spin splitting. We uncover a coupling between spin and sublattice: the out-of-plane pseudospin polarization is spin-dependent, a mechanism we term partial pseudospin-spin coupling. This allows switching of the pseudospin polarization by reversing the Néel vector. Introducing an impurity into a specific sublattice induces Friedel oscillations with a sublattice-resolved amplitude ratio dictated solely by the pseudospin polarization, which is directly measurable by spin-polarized scanning tunneling microscopy. Furthermore, we demonstrate Néel-vector-controlled transmission and a large nonvolatile tunneling magnetoresistance in an all-in-one AFM junction, with pronounced resonant enhancement in gate-tunable two-dimensional devices. Our work establishes a new paradigm-AFM pseudospintronics-that utilizes the sublattice pseudospin in zero-spin-splitting AFMs, extending spintronics beyond the conventional spin-splitting paradigm.
Unconventional charge density waves (CDWs) with complex order parameters can host exotic collective modes and non-trivial topologies. They have emerged as a new frontier in the study of quantum matter. Recent experiments on rare-earth tritellurides have reported evidence for a ferroaxial CDW through the detection of characteristic Raman modes. This phase, often regarded as a hidden order, has been recognized to arise from the coupling between charge and orbital degrees of freedom in these materials. Yet, spectroscopic insight into its underlying electronic structure and the explicit form of its order parameter symmetry has remained elusive. Here, we present results from linearly polarized angle-resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy (STM) measurements of the CDW phase in LaTe$_3$. Our ARPES measurements reveal a complex landscape of spectral gaps across the reconstructed Fermi surface, while our STM-based quasiparticle interference (QPI) mapping, enhanced through the selective deposition of atomic scattering centers, directly reveals an inter-orbital CDW with mixed $p_x$-$p_z$ orbital character. The detailed analysis of the QPI characteristics in terms of the order parameter symmetry within the orbital subspace of the Fermi surface suggests a mixed CDW phase with substantial ferroaxial component, which breaks all vertical mirror symmetries. More broadly, our work establishes a powerful spectroscopic pathway, based on scattering off individual atoms, for identifying and characterizing hidden, multi-component electronic orders in quantum materials using STM and ARPES measurements.
The kinetic roughening of driven grain boundaries (GBs) is fundamentally mediated by the collective behavior of disconnections, whose long-range $1/r$ elastic interactions distinguish them from conventional growing surfaces. Through large-scale molecular dynamics simulations and a nonlocal fractional Kardar-Parisi-Zhang (fKPZ) theory, we demonstrate that driven GBs undergo a sharp transition of morphology at the yield point, from the quenched Edwards-Wilkinson universality class ($H \approx 0.33$) to an anomalous fKPZ regime ($H \approx 0.8$), while the 1/r nonlocal elasticity manifests as the fractional relaxation of GB morphology. The results show that the avalanche noise arrests the gradient catastrophe induced by the KPZ nonlinearity. Governed by the nonlocal elastic kernels, the resulting morphology breaks the Gaussian self-affinity and parallels the universality class of dynamic fracture.
The interplay between spin-orbit coupling (SOC) and nontrivial band topology in ferromagnets gives rise to a rich landscape of topological transport phenomena such as anomalous Hall effect (AHE) and topological Hall effect (THE). One central goal in modern spintronics lies in the realization of the active control over topological transport phenomena in a reversible fashion, while unambiguously disentangling respective contributions of THE and AHE to the net Hall effect remains a formidable challenge. Here we establish magneto ionic control as a powerful paradigm for dynamically engineering topological transports in a 4d-orbital SrRuO3 system with sizable SOC and itinerant ferromagnetism. Harnessing controllable protonation or oxygen vacancy incorporation, the Fermi-level upshift relative to avoided band crossings are realized through band filling control, giving rise to tunable reversal temperature of AHE polarity. Of particular note is the emergence of hump like Hall anomalies through extensive ionic doping that can be reversibly switched, irrespective of AHE polarity, providing evidence for a THE signal driven by broken inversion symmetry rather than a two channel AHE. Our findings provide a viable tuning knob for Berry curvature engineering, enabling on demand control of topological transports in strong SOC ferromagnets for low power, reconfigurable all oxide spintronic devices.
We study pressure pulse generation and propagation in lipid monolayers by an experimental approach employing rapid photoisomerization of photoswitchable lipids (azoPC). This allows us to generate longitudinal surface pressure pulses by optical flash excitation in both free and constrained layer geometries. We compare the observed pulse shapes with a theoretical approach based on a nonlinear fractional wave equation for a surface displacement field, where a fractional time derivative term captures the hydrodynamics of the monolayer subphase. We explore channel geometries of different lengths and widths and find quantitative agreement between theory and experiment regarding pulse speed and pulse shapes. For narrow channels, we employ a one-dimensional version of the fractional wave equation to study pulse propagation without any fit parameters by using the pressure signal at a close pressure sensor as boundary condition to predict the pressure signal at a second far sensor. A full two-dimensional description can capture all effects arising from the channel geometry for wider channels using one common set of fit parameters for the pulse excitation that can be applied to all geometries. The nonlinearity in the fractional wave equation plays no role in explaining the observed pulse shapes because pulse amplitudes generated by azoPC photoswitching remain very small.
The stacking-dependent polarization and excitonic response of MoS$_2$/MoSe$_2$ heterostructures were investigated using GW+BSE many-body perturbation theory. While homobilayer MoS$_2$ exhibited a switchable interlayer dipole driven by registry-induced symmetry breaking, the MoS$_2$/MoSe$_2$ hetero-interface remained pinned by the intrinsic chemical potential mismatch between sulfur and selenium. In 2L-MoS$_2$/MoSe$_2$ trilayers, the stacking sequence enabled a deterministic control of photogenerated electrons between the central and bottom MoS$_2$ layers, governed by internal electric fields and quasiparticle band-edge shifts of 60--70~meV. Our calculations predicted a 36~meV interlayer excitonic shift, in remarkable agreement with recent experiments. These results elucidate the microscopic link between atomic registry and many-body interactions, establishing transition metal dichalcogenide trilayers as a potential platform for sliding ferroelectricity and programmable optoelectronic functionalities.
The spin Hall effect, recognized for its high-speed, low-power, and highly controllable characteristics, is a key enabler for next-generation memory and logic devices. However, a primary challenge lies in achieving 180$^{\circ}$ magnetization switching without an external magnetic field in spin-orbit torque devices. Here, we propose a method to tune the conventional and anomalous spin Hall effects by the intrinsic sliding ferroelectricity. Importantly, the anomalous spin Hall effect can enable the field-free switching of perpendicular magnetization. We find a substantial anomalous spin Hall conductivity of $\sigma_{xy}^{y}$ = 45.62 ($\hbar$/e)S/cm and $\sigma_{yx}^{y}$ = 56.84 ($\hbar$/e)S/cm in monolayer 1T'-WTe$_2$. These values are significantly enhanced to $\sigma_{xy}^{y}$ = -96.77 ($\hbar$/e)S/cm and $\sigma_{yx}^{y}$ = 104.03 ($\hbar$/e)S/cm in the bilayer 1T'-WTe$_2$. More interestingly, the sliding ferroelectricity enables reversible switching of the signs and magnitudes for both the conventional and anomalous spin Hall conductivities. This originates from the fact that the sliding ferroelectric markedly shifts the relative spin Berry curvature contributions from the valence and conduction bands around the $\Gamma$-X path. Our findings not only reveal a strong coupling between sliding ferroelectricity and spin transport, but also propose a strategy for the nonvolatile electrical control of spintronic devices.
Collective dynamics in financial markets can emerge through synchronized movements of large groups of assets. Motivated by analogies with interacting many-body systems, we introduce a spin-lattice representation for analyzing collective states in cryptocurrency markets. In this framework, assets are encoded as binary spin variables according to the sign of their returns, while correlations between assets determine effective interaction strengths. A correlation-based breadth-first search (CBFS) procedure embeds 169 cryptocurrencies into a $13 \times 13$ lattice, enabling the construction of an Ising-like Hamiltonian describing the market configuration, which we call the \emph{Market Crystal}. Macroscopic observables such as magnetization and energy provide a statistical-mechanical characterization of collective market states. The resulting phase-space structure highlights regimes of strong alignment and fragmentation among assets, with an energy--magnetization pattern suggestive of predominantly ferromagnetic interactions. This framework offers a statistical-mechanical viewpoint for studying collective behavior in financial systems.
Spin-split electronic structures in compensated antiferromagnets are commonly sought in the nonrelativistic limit, where magnetic order lifts spin degeneracy without spin-orbit coupling (SOC). Whether SOC can instead be the indispensable symmetry-breaking ingredient remains largely unexplored. Here we combine quantum oscillations detected by ultrahigh-sensitivity ac magnetostriction, magnetic-symmetry analysis and first-principles calculations to resolve the bulk Fermi-surface evolution of SmBi across two successive antiferromagnetic (AFM) transitions. New oscillation branches emerge below TN and undergo a further reconstruction below T*, whereas isostructural SmSb shows no comparable change. For the candidate noncollinear orders of SmBi, breaking global parity-time symmetry is insufficient in the nonrelativistic limit because residual spin-space symmetries protect twofold band degeneracy; conversely, SOC alone cannot lift the degeneracy of the centrosymmetric paramagnetic (PM) phase. Only the coexistence of noncollinear order and SOC locks spin to the lattice and removes the residual protection. SmBi therefore realizes a cooperative, relativistic route to spin-split Fermi surfaces, broadening unconventional magnetism beyond systems whose splitting is already present in the nonrelativistic limit.
In open quantum lattice systems, changing the boundary condition would appear to alter both the steady state and the nonzero Liouvillian spectrum. Here we show that these two boundary-induced changes do not necessarily occur together in a globally reciprocal dissipative quantum link chain. The steady state is determined by an accumulated field defined by link-resolved dissipative asymmetries, and a gauge-generated transformation built from this field gives exact symmetry-resolved steady states with nonuniform, accumulated-field-dependent reduced matter occupations. We then construct a reciprocal cyclic boundary condition that preserves these matter occupations while changing the nonzero Liouvillian spectrum. Consequently, open and cyclic chains relax to the same reduced matter steady-occupation profile with different Liouvillian gaps, with the cyclic closure accelerating relaxation. In the strong-dissipation limit, this relaxation difference can be reduced to a spectral comparison of effective exclusion processes with open and cyclic boundaries.
Herein, the fundamental physical characteristics like structural, electronic, optical parameters of the Ca$_3$PX$_3$ (X = F, Cl, Br, I) materials have been investigated for their potential optoelectronic applications, particularly for solar cells and related devices. To the crystallographic investigations, Ca$_3$PI$_3$ has the most stable configuration among all investigated materials. From the band structure analyses of these materials indicate that all materials have a direct bandgap in the range of 2.0 eV to 3.788 eV, which makes them ideal for light absorption. For the photovoltaic applications, we have analysed first-principles spectroscopic screening limited maximum efficiency (SLME) which confirms that the Ca$_3$PI$_3$ material exhibits the highest solar cell efficiency 29.6% and Ca$_3$PF$_3$ and shows lower efficiency for solar cell suitability 0.6%. Thus, these results demonstrate the real potential and abilities of halide substitution to tune the materials for particular optoelectronic devices.
We propose Bayesian-inverse-Bayesian (BIB) inference in repeated games as a minimal generative model linking Bayesian inference, statistical mechanics, and heavy-tailed statistics. As a concrete instantiation we simulate repeated $N$-hand cyclic-dominance rock-paper-scissors, a discrete setting in which Nash-targeting algorithms collapse to uniform random play, so that any non-trivial dynamics must originate internally. Across a multi-axis sweep of design, window, and opponent conditions, the BIB dynamics remain in the same internal critical state, the argmax-persistence distribution staying a heavy-tailed power law with exponent $\alpha\approx 1.43$ at the canonical window. Along the window and alphabet axes the exponent is not constant but drifts toward the universal $3/2$ as the finite-sample residual $(N-1)/(2m)$ vanishes. Bayes-only inference, which lacks the inverse step, shows no analogous universality and no power law. Because the argmax and laminar observables are first-passage reads of one driftless log-posterior walk, what is robust across conditions is the critical, zero-drift state itself, evidenced by the cross-design data collapse rather than by any particular exponent value. The state is also invariant across the hypothesis count $N_h$, with the cutoff time and posterior spread obeying finite-size scaling. Adding an inverse-Bayesian relaxation step (hypothesis renewal) to ordinary Bayesian inference is by itself enough to render the dynamics critical, with no external parameter adjustment. Rather than self-organizing toward an absorbing state, BIB reaches criticality by continually reconstructing the hypothesis-space boundary, a mechanism complementary to self-organized criticality that makes the criticality robust across a natural parameter range.
Remembering here the work of two pioneers of the statistical physics of Coulomb systems, Günter Kelbg, and Ihor Yukhnovskii, we analyze their methods and give some new applications to ionic solutions and quantum plasmas. In particular, we develop applications of the theory to strong electrolytes and to thermal high-temperature plasmas at $T > 0^5$ K using the exponential interaction model. We show the strong structural similarity of these two classes of Coulomb systems, which physics is determined mostly by contributions proportional to $e^4$ and $e^6$. We predict at higher densities a structural transition to oscillating correlations. The thermodynamic functions show a smooth transition from a quadratic root increase to a slower increase like $n_i^{1/4}$ which observes the Onsager bound. Effects of asymmetries in charges and masses are studied with applications to ionic systems with multiple charges and to high-temperature plasmas, in particular, to plasmas with He$^{2+}$-ions.
This work presents an elastic model to study the interplay between entropic and energetic networks in confined hydrogel particles. We consider a quasi-two-dimensional system composed of spherical hydrogel beads confined in a circular container, where particle growth occurs through hydration. Based on experimental observations, an elastic potential is introduced to model interactions between particles and between particles and the confining wall. Computational simulations based on energy minimization identify the lowest-energy configurations adopted during growth. Analysis of the resulting energy landscapes reveals emergent self-organization, adaptability, and cooperativity arising from the competition between entropic and energetic networks.
This study is aimed at exploring the structural and electronic properties of doped MoS$_2$ monolayers, including Mo and S vacancies and As doped systems, employing DFT calculations. The electronic properties were analyzed to understand how these modifications affect the behavior of the material. Introduction of defects generates new defect states in the midgap. In the S-vacancy (V$_\text{S}$), Mo-vacancy (V$_{\text{Mo}}$), As-Mo (As substituting Mo), and As-S (As substituting S) doped systems, the downward shift of the Fermi level to the valence band indicates a $p$-type behavior. In the As interstitial system the Fermi level shifts to the conduction band, suggesting an $n$-type semiconductor. The results highlight that doping MoS$_2$ with As, particularly at the Mo site, can be used in photocatalysis and high-efficiency photovoltaics. Additionally, the As interstitial system demonstrates an enhanced performance in field-effect transistors (FETs).
The study is devoted to enhancing the existing techniques of calculating Mayer's expansion cluster integrals for lattice models of matter. Two important optimizations are proposed: simplifying the calculation of the integrand at each integration point and reducing the number of such integration points due to eliminating physically identical configurations. Based on those optimizations, new data on high-order cluster integrals are obtained for a number of 2D and 3D lattice models.
A theoretical framework is developed for the electron miniband structure in one-dimensional chains of spherical quantum dots subjected to weak positional disorder. Within the tight-binding approximation combined with the effective-medium approach, the stochastic fluctuations of the inter-dot spacing are mapped onto the renormalization of the key Hamiltonian parameters: the hopping integral $ B $, the overlap integral $ Q $, and the on-site energy shift $ M $. Analytical expressions for these disorder-renormalized parameters are derived by performing an ensemble average over a narrow Gaussian distribution of positional deviations ($ \sigma \ll a $). The resulting generalized dispersion relation shows that weak positional disorder causes a broadening of the minibands. Specifically, for typical fabrication fluctuations $\sigma = 0.1\,a $, the miniband width increases by 8-12\% (depending on the mean inter-dot distance $a$). At the same time, the sensitivity of the miniband width to disorder decreases rapidly with increasing lattice period due to the exponential decay of the electron wave functions. In the considered weak-disorder regime, the Anderson localization length significantly exceeds the lattice constant, so the miniband states remain delocalized.
Understanding virus-host interactions is crucial for predicting the stability of networks under various perturbations. In this study, we present an analysis of virus-related networks for several organisms (Homo sapiens, Mus musculus, Gallus gallus), encompassing directed and weighted connections. We compute a range of network parameters, including topological characteristics and thermodynamic quantities derived from adjacency spectra, to gain insights into the structural robustness and dynamic behavior of the networks. To assess stability, we model two distinct node removal scenarios: targeted elimination of the most influential nodes and random removal. Our findings reveal transition-like behavior in spectral thermodynamic functions and characteristic changes in structural measures, contributing to evaluating the potential of a thermodynamic framework for studying virus-host networks and advancing a deeper understanding of their dynamics.
Multiple-$Q$ magnetism in itinerant electron systems enables complex spin crystals and noncoplanar textures even in centrosymmetric settings. We study a minimal momentum-space spin model on a square lattice with four symmetry-related ordering wave vectors, including bilinear and biquadratic interactions under an out-of-plane magnetic field. Using simulated annealing, we obtain the field-dependent phase diagram and identify successive transitions among single-$Q$, double-$Q$, and multiple inequivalent quadruple-$Q$ states. The quadruple-$Q$ manifold exhibits rich internal structures: the states sharing the same wave vectors differ in phase locking, amplitude distribution, and noncoplanarity, leading to distinct real-space textures and scalar spin chirality patterns. Our results demonstrate that momentum-space frustration and biquadratic coupling provide an efficient route to stabilizing diverse quadruple-$Q$ spin crystals, offering a general framework for higher-order spin textures in centrosymmetric itinerant magnets.
Ferroelectricity is a property of materials that exhibit spontaneous charge polarization. Ferroelectricity in 2D materials is interesting because of their applications in memory devices and field-effect transistors. Recently, a new type of ferroelectricity, known as sliding ferroelectricity, has been discovered, in which parallel-stacked bilayers of hexagonal boron nitride (hBN) or transition metal dichalcogenides (TMDCs) develop an out-of-plane electric polarization. In this work, we probe the polarization of small-angle parallel stacked WSe$_2$ by measuring its high-frequency AC response, achieved by embedding it into a half-wave superconducting coplanar waveguide cavity. We observe a hysteretic response in the capacitance of the stack and quality factor of the cavity, confirming ferroelectric switching in the system. Our results further reveal relaxation effects associated with ferroelectric domain-wall motion. This cavity-based technique has potential applications in probing domain-wall dynamics in a ferroelectric system at high frequencies.
We develop a hybrid framework that integrates a phase-field model (PFM) with an attention-enhanced deep learning (DL) architecture to study ternary spinodal dealloying, a sophisticated self-organization approach used to fabricate three-dimensional bicontinuous, hierarchical nanoporous materials. The study captures three distinct phase-separation mechanisms that emerge during the early stages of spinodal decomposition in both two and three dimensions. The DL workflow consists of three key components: (i) a dimensionality-reducing autoencoder that provides compact representations of high-resolution microstructure images (256x256x3), (ii) an attention-augmented convolutional long short-term memory (ConvLSTM) network that learns complex spatiotemporal correlations governing microstructure evolution, and (iii) a novel slice-by-slice strategy that enables extension of the model to three-dimensional systems (128x128x128x3). We further demonstrate a hybrid simulation strategy in which PFM accurately captures rapid early-stage microstructure evolution, while the DL model efficiently predicts late-stage coarsening dynamics. The trained DL model achieves remarkable predictive accuracy, maintaining fidelity up to 400 timesteps ahead and generalizing to compositions outside the training distribution. By bridging the physical fidelity of PFM with the computational efficiency of DL, this framework establishes a robust platform for predictive modeling of microstructure evolution in complex multicomponent systems.
Magnons in antiferromagnetic (AFM) insulators facilitate low-dissipation, stray-field-free spin transport. However, achieving nonvolatile, field-free control over magnon spin currents remains elusive. Here, based on symmetry analysis, we propose a universal mechanism for the active manipulation of magnon spin transport via ferroelastic transitions in two-dimensional (2D) altermagnets (AMs)-a class of unconventional AFMs simultaneously exhibiting compensated magnetization and nonrelativistic spin splitting. We show that these transitions effectively reorient principal crystal axes and modulate the underlying magnetic exchange anisotropy. Consequently, this magnetoelastic coupling drives nonrelativistic anisotropic spin transport that is ferroelastically switchable without the need for external magnetic fields or Berry curvature, leading to sign reversals in the spin Seebeck and spin Nernst conductivities. We validate this mechanism using first-principles calculations and spin-model analyses of an AM CoTe2 monolayer. Our findings establish a symmetry-based magnetoelastic paradigm for the nonvolatile control of magnon spin transport in 2D AMs, opening new avenues toward energy-efficient, reconfigurable AFM magnonic devices.
Bulk acoustic wave resonators (BAWR) and bandpass filters operating at GHz frequency are the workhorse of (Vo-)LTE telecommunication and broadband internet. In line with the Singapore Green Plan 2030 for innovating environmentally friendly products, we fabricated lead-free BAWR with sodium niobate (NaNbO3) piezoelectric on silicon with a high electromechanical coupling factor up to 31.3% operating at ~4 GHz. We disclose our crucial strategy where the NaNbO3 layer is cladded between two thin layers of high band gap insulators, which satisfies two primary objectives, i.e. leakage current mitigation and crack avoidance. In addition, we also verified the efficacy of reducing lattice parameters of the cladding layers in promoting vertically distorted tetragonal phase NaNbO3 and producing stronger BAWR signals.
Spin-torque nano-oscillators (STNOs) inherently exhibit thermally driven phase fluctuations that render their dynamics truly stochastic. Here, we demonstrate that, despite this intrinsic randomness, the probability of occupying each phase state can be deterministically and continuously programmed. We experimentally investigate a vortex-based STNO operating under second-harmonic injection-locking, where the oscillator phase settles into two degenerate attractors separated by $\pi$ and undergoes thermally activated phase jumps. By applying a weak radio-frequency perturbation at the free-running frequency, we tune the phase-jump rates between the two attractors without suppressing the fluctuations, achieving continuous probability control from the unbiased limit to values approaching 0 or 1. The bias phase selects which attractor is favored while the bias amplitude sets the strength of the imbalance, providing two complementary control knobs within a single nanoscale device. A phase-reduced description based on an effective quasipotential quantitatively accounts for the observations. These results establish injection-locked STNOs as programmable stochastic elements and provide a hardware primitive for probabilistic computing, Ising machines, and brain-inspired computing architectures.
We investigate the transport and fluctuation properties of self-propelled particles whose motion is governed by an age-dependent phase-switching mechanism. The dynamics alternate between a Markovian downstream phase with a constant switching probability $r$ and a semi-Markovian upstream phase in which the age-dependent hazard probability $a/(b+c)$ decays with the internal clock $c$, representing persistent orientation. The time-averaged velocity, as an order parameter, shows a continuous transition at $a=1$ which separates an upstream-dominated ballistic regime ($a<1$) from an ergodic diffusive regime ($a>1$). Through generating-function methods and discrete-time moment recurrences, we derive exact expressions for the propagator and determine the long-time asymptotics of the mean displacement and variance. At the critical point $a=1$, the system exhibits giant fluctuations, with the variance scaling ballistically up to a logarithmic correction, $\mathrm{Var}(x_T) \propto T^2 / \log T$. These results demonstrate how slowly decaying reorientation probabilities lead to a marginal breakdown of the Central Limit Theorem, enabling unusually high-variance exploratory dynamics in biased environments.
The present work investigates the changes in overall nanomechanical properties of reactively sputtered TiN-AlN multilayer films arising due to phase transformation in the AlN layers. Multilayered TiN-AlN films were sputter deposited with constant TiN layer thickness of 5 nm while the AlN layer thickness varied between 1-5 nm. The AlN underwent a phase transition from cubic rock salt to hexagonal wurtzite above 3 nm thickness due to the lattice strains. The hardness and indentation modulus of the multilayers decreased with increasing AlN film thickness, up to 3 nm, due to increased volume fraction of softer AlN layer and then stabilized for 4 nm and 5 nm thickness films. Micropillar compression of these multilayers showed a transition from columnar brittle to partially ductile failure associated with crack deflection with increasing AlN film thickness. Interestingly, nanoindentation scratch resistance of 3 nm AlN multilayer was observed to be superior compared to all other films. The crack propagation behavior in scratching showed increased microcracking tendency towards higher AlN film thickness. This shows that cubic to hexagonal transformation in AlN is beneficial for improving the damage tolerance of the multilayer system.
We present a non-Markovian open quantum dynamics formalism for the study of nonequilibrium electron-phonon interactions, based on a closed set of four coupled equations of motion for the electronic one-body reduced density matrix, the phonon density matrix, the coherent phonon, and the electron-phonon correlations. Memory effects in the electronic dynamics emerge naturally from the coupling between the electronic density matrix and the electron-phonon correlation equations, beyond the Markovian approximation. The formalism treats coherent-phonon dynamics and dissipative broadening on an equal footing, making it particularly suited to polaron formation and the finite lifetimes of driven electronic excitations. In appropriate limits it recovers the Fan-Migdal, polarization in random-phase-approximation, and Ehrenfest self-energies of nonequilibrium Green's function theory, as well as the Lindblad and Boltzmann equations, while avoiding the storage of two-time correlators. To drive the system out of equilibrium, we study its interaction with an external time-dependent field. As an illustrative application, we benchmark our theory against the exact solution of the Holstein dimer under a strong external perturbation, where the non-Markovian dynamics correctly captures dissipative spectral broadening and energy conservation.
Twisted van der Waals bilayers form moiré superlattices whose structural and vibrational properties are highly sensitive to variations in local stacking registry and the degree of atomic reconstruction, yet accurate atomistic modeling of these systems at the DFT level remains computationally prohibitive at small twist angles. We investigate machine-learned interatomic potentials for moiré systems, using twisted bilayer graphene, \textit{h}-BN, and MoS$_2$ as representative materials spanning a broad spectrum of mechanical compliance and atomic reconstruction behavior. We show that fine-tuning universal atomistic foundation models is essential to achieve DFT accuracy for layered materials, as broadly trained foundation models prove insufficient for resolving the subtle interlayer energetics that govern atomic reconstruction. Through local strain tensor analysis and the phonon band unfolding technique, our fine-tuned MACE model reveals a consistent reconstruction-induced strain landscape in all three materials, with extended low-energy stacking domains separated by narrow soliton lines where deformation concentrates. The system progressively optimizes the local stacking registry within each domain, giving rise to a spatially structured deformation field whose amplitude scales with the mechanical compliance of the material and can be further tuned by external perturbation. The obtained results of both atomic reconstructed structures and moiré phonon spectra present a good agreement with the reported experiments, thereby demonstrating the accuracy and efficiency of our methodology in modeling of these large scale nanomaterials.
Carbon nanotubes (CNTs) constitute a highly tunable platform for probing the interplay between structural chirality and quantum transport in quasi-one-dimensional systems. Here, we perform a systematic study of the non-equilibrium orbital response across a broad set of metallic and semiconducting chiral CNTs. We find that the orbital Edelstein susceptibility depends strongly on both chirality and nanotube diameter, revealing that the orbital response cannot be captured by a universal scaling law. Instead, distinct families of CNTs emerge, forming characteristic orbital-response branches uniquely determined by the chiral wrapping vector. We further investigate the role of metallic contacts on orbital-current generation and orbital selectivity. While metallic CNTs rapidly recover their intrinsic orbital response away from the contact region, semiconducting CNTs display pronounced oscillatory behavior arising from interference between transport channels carrying different angular momenta injected by wide-band metallic contacts. Finally, by incorporating angular correlations into the contact self-energy, we demonstrate that chiral CNTs can operate as efficient orbital-angular-momentum filters, selectively transmitting orbitally textured electronic states in accordance with the crystal angular momentum of the propagating bands.
Electrons in transition-metal dichalcogenides (TMDs) possess valley and spin degrees of freedom, which leads to rich exciton and exciton-polariton physics with nontrivial scattering dynamics and enhanced nonlinearities, presenting a key mechanism for photonic devices. Yet, existing descriptions of bosonization and polariton interactions in TMD-based systems overlook the valley degree of freedom as well as the various particles' spins combinations. In this work, we derive a nonequilibrium field-theory approach in the path integral formalism that allows to track all the polariton nonlinearities in the strong coupling regime. We demonstrate that, when all the bright and dark exciton species are considered, the TMD monolayer-based polariton systems feature sixteen different nonlinear contributions due to interactions and even more saturation-related terms. Strikingly, while the interactions of excitons within one valley are overall dominant, we show that the contribution to the blueshift from spin-dark excitons is much higher than that from bright intravalley excitons.
Motivated by the discovery of superconductivity in Sr-doped infinite-layer nickelate films on SrTiO$_3$(001), we explore the broader landscape of $AB$O$_2$ oxides through comprehensive high-throughput first-principles simulations. Specifically, delafossites and their ordered rock-salt (111) variants stand out as intriguing layered oxides that share the infinite-layer $AB$O$_2$ stoichiometry and simultaneously retain a perovskite-like octahedral motif. This positions them as a unique structural bridge between these two phases and as promising candidates for novel correlated electronic states. We compile a phase diagram that compares the relative stability of these four distinct oxides across the periodic table. Surprisingly, we find that the delafossite structure rivals the infinite-layer phase in thermodynamic stability for the nickelates, and even more for the recently suggested palladate and platinate analogs. Comparison of the respective electronic structures reveals that the delafossite compounds, which we find to be characterized by reversed cation order, exhibit a strongly $d_{z^2}$-dominated Fermi surface, in stark contrast to the $d_{x^2-y^2}$ character observed in the infinite-layer phases. Among all candidates, the La-Ni combination stands out as a thermodynamic optimum for stabilizing the infinite-layer motif. Furthermore, we show that hole doping via Ca, Sr, and Ba systematically enhances the stability of the infinite-layer phase in all three transition-metal families. These results reveal fundamental challenges in realizing bulk substrate-free infinite-layer oxides, and simultaneously offer guidance for future experimental synthesis efforts targeting novel superconducting compounds.
We conduct a comprehensive dynamical analysis of quasi-two-dimensional (Q2D) dispersions of Brownian particles with competing short-range attractive (SA) and long-range repulsive (LR) interactions using Langevin dynamics (LD) and multiparticle collision dynamics (MPC). As the attractive interaction is strengthened, self-diffusion is significantly suppressed, and clustering gives rise to pronounced subdiffusive behavior. We find that cluster lifetimes are influenced more strongly by attraction strength than by particle concentration. Two dynamical criteria for the transition from non-clustered to clustered phases are identified in terms of the mean cluster lifetime and the relaxation time of local hexagonal order, respectively. Moreover, clustered Q2D-SALR systems exhibit pronounced non-Gaussian dynamics. In particular, the self-van Hove function in the equilibrium-cluster phase displays an approximately exponential form, consistent with an underlying diffusing-diffusivity mechanism. Importantly, MPC simulations reveal the critical role of hydrodynamic interactions (HIs) in collective dynamics. We observe that the anomalously enhanced large-scale collective diffusion characteristic of hydrodynamically interacting Q2D systems is qualitatively preserved in Q2D-SALR dispersions. However, this enhancement suppresses the intermediate-range-order peak in the hydrodynamic function compared to its three-dimensional counterpart. Furthermore, by analyzing the time-dependent evolution of hydrodynamic function and the sound mode in hydrodynamic correlations, we find that clustering in Q2D-SALR systems leads to an earlier onset of HIs than in Q2D hard-sphere reference systems, implying HIs become relevant already on inertial timescales.
The ordered iron nitride phase $\alpha''-\mathrm{Fe}_{16}\mathrm{N}_2$ is a promising candidate for environment-friendly, rare-earth-free permanent magnets due to its demonstrated giant saturation magnetization ($M_s$). However, first-principles electronic-structure calculations have struggled to consistently reproduce experimentally-observed high $M_s$, and have yielded highly variable magneto-crystalline anisotropy (MCA) values. In this work, we employ Density Functional Theory under the GGA+$U$ framework to study the effect of the Hubbard parameters $U$ and $J$ on the magnetic properties of $\mathrm{Fe}_{16}\mathrm{N}_2$. We demonstrate that the electronic structure exhibits high sensitivity to these parameters, specifically uncovering a van Hove singularity near the Fermi level ($E_F$), inherently tied to the material's structural and thermal phase instability. By linking this topological anomaly to the calculated magnetic properties, we demonstrate that the selection of $U$ not only tunes $M_s$ and MCA energy towards experimental values but also reveals an underlying electronic mechanism potentially responsible for the phase's metastability. This provides a framework for understanding the correlation-driven magnetic behavior of $\mathrm{Fe}_{16}\mathrm{N}_2$ and offers a pathway for optimizing its stability and performance in practical applications.
Polycrystalline SrRu1-xCoxO3 (x = 0.0, 0.05) and CaRuO3 were rapidly synthesized (< 1 hour) by microwave irradiation of oxide powders, and their magnetic, magnetoresistance, thermal expansion, and magnetostriction properties were investigated. The microwave-synthesised SrRuO3 exhibits a ferromagnetic transition at TC = 160 K, metallic-type resistivity, and negative magnetoresistance, with magnitudes comparable to those of a sample synthesized by conventional heating over 24 hours. Upon lowering the temperature from 300 K, the linear thermal expansion shows a transition from the usual contraction in the paramagnetic state to spontaneous expansion in the ferromagnetic state (invar-like effect). The application of an external magnetic field at a fixed temperature results in isotropic expansion of the length, implying a positive magnetovolume effect. The volume magnetostriction is 40 ppm at 10 K in a magnetic field of 50 kOe, and it reaches a maximum value of 60 ppm close to TC. The spontaneous thermal expansion is diminished in SrRu0.95Co0.05O3. While the magnetostriction is anisotropic at 10 K, the isotropic behaviour is recovered above 80 K, and the maximum value of the positive magnetovolume is comparable to that of the parent compound. Our results suggest that the magnetovolume effect in SrRu1-xCoxO3 is related to competition between robust tilting/rotation of RuO6 octahedra and spin-orbit interaction of the doped Co2+ ions
Polycrystalline samples of LaMn1-xCoxO3 series over a wide compositional range (x = 0.1 - 0.9) were synthesized by microwave irradiation of oxide precursors and their magnetic and magnetostrictive properties were investigated. Magnetostrictions parallel (l_par) and perpendicular (l_per) to the applied magnetic field were measured to estimate anisotropic(l_anis) and volume magnetostrictions(l_vol). In all the compositions, l-par (l_per) is negative (positive) and (l_anis) >> (l_vol), suggesting dominance of anisotropic lattice distortion under a magnetic field. The value of l_anis at 10 K for H = 50 kOe initially increases with x from 178 ppm for x = 0.1 to a maximum of 1221 ppm at x = 0.5 before decreasing for higher x. The composition dependence of magnetostriction is asymmetric about x = 0.5, the decrease for x > 0.5 is more steeper than for x < 0.5 whereas saturation magnetization decreases monotonically with increasing x except for an abrupt change at x = 0.6. The largest anisotropic magnetostriction observed for x = 0.5 is attributed to the presence of high-spin Co2+ ions with a non-zero orbital moment in the maximum fraction whereas Mn3+/4+ or Co3+ ions play minor roles. The composition dependence of magnetostriction is suggested to arise from changes in the structure, valence states of Mn and Co ions and magnetic interactions among them.
We study the peculiar dynamics of the Kitaev chain induced by nearest-neighbor (NN) interaction. We show that a strong NN interaction suppresses single-particle hopping but enhances pairing, resulting in a Wannier-Stark ladder. Based on the spin-fermion correspondence at the symmetry point, the model maps to a transverse field Ising model on a zigzag lattice, providing a clear physical picture and guiding experimental verification. The Wannier-Stark state corresponds to a localized domain wall between ferromagnetic and antiferromagnetic phases. It exhibits Bloch oscillation even in the absence of a longitudinal field, in contrast to previous works. Numerical simulations of time-dependent observables verify these conclusions. Our findings provide an example demonstrating emergent Stark many-body localization.
Fast ionic conductors are commonly described from two perspectives: soft lattices that facilitate ion migration, and geometrically frustrated ionic sublattices that host multiple nearly degenerate configurations. Here we demonstrate that these two pictures are intrinsically linked within a single lattice-renormalized free-energy landscape. Eliminating the adiabatic lattice response from a coupled ion-lattice Hamiltonian, we derive a lattice-mediated free-energy correction governed by the projection of ionic configurational forces onto the inverse stiffness of the host lattice. In a coarse-grained representation, this correction decomposes into local self-trapping and non-local interference between lattice-response fields. These intertwined effects reshape the frustrated free-energy landscape, redistribute mobile ions, and promote correlated ionic transport. Large-scale atomistic simulations of cubic Li$_7$La$_3$Zr$_2$O$_{12}$ and AgCrSe$_2$ show these effects across scales, from barrier reduction to collective ionic reorganization. The resulting picture recasts fast ionic transport as a lattice-renormalized geometric frustration problem, in which lattice softness, frustration and collective diffusion emerge as different expressions of the same free-energy landscape.
We derive a gauge-invariant clean-limit decomposition of the second-order dc nonlinear conductivity in multiband tight-binding systems within the velocity-gauge Keldysh Green's function formalism. In the constant-relaxation-time approximation, the dc response separates into four contributions with distinct lifetime $\tau$ scalings and physical origins: the nonlinear Drude term $\sigma^{\mathrm{ND}}_{ijk}\propto\tau^{2}$, the Berry-curvature-dipole term $\sigma^{\mathrm{BCD}}_{ijk}\propto\tau$, the intraband quantum-metric-dipole term $\sigma^{\mathrm{intra\text{-}QMD}}_{ijk}\propto\tau^{0}$, and the interband quantum-metric-dipole term $\sigma^{\mathrm{inter\text{-}QMD}}_{ijk}\propto\tau^{0}$. The intraband term is a Fermi-surface dipole of the ordinary band quantum metric, while the interband term is written, in the present representation, as a Fermi-sea-type response involving a band-normalized quantum metric. Working entirely within the velocity-gauge Keldysh--Kubo framework, we show that all connection-dependent commutator terms generated in the band-basis expansion cancel exactly between the covariant-quantum-connection sector $\sigma^{\mathcal{C}}_{ijk}$ and the three-Berry-connection sector $\sigma^{\mathcal{T}}_{ijk}$, making the role of the Peierls contact velocity vertices $V_{ij}$ and $V_{ijk}$ explicit; a complementary projector-based derivation appears in Ulrich et al., Phys. Rev. B 113, L201107 (2026), and our Fermi-surface dc-limit expression agrees with that reference after accounting for index and convention differences. As a diagnostic illustration, we introduce a real two-band model in which the Berry curvature and hence the BCD response vanish identically while the intraband quantum-metric dipole remains finite, establishing a practical route to quantum-metric dc responses not reducible to the Berry-curvature-dipole mechanism.
Tungsten-boride nanoclusters represent a promising class of materials for catalytic applications, yet their structural stability and reactivity remain poorly understood. The evolutionary algorithm combined with density functional theory (DFT) are used to systematically explore the ground-state structures and stability landscape of W$_m$B$_n$ nanoclusters with up to 43 atoms. The resulting stability maps reveal a highly non-monotonic landscape characterized by isolated "magic" compositions, including WB$_{16}$, W$_2$B$_8$, W$_7$B$_{24}$, and W$_{11}$B$_{22}$, which exhibit pronounced local stability maxima. We further investigate the adsorption and initial decomposition step of ammonia on these clusters as a probe of their catalytic potential. Molecular NH$_3$ adsorption occurs exclusively on tungsten sites with energies ranging from -0.54 to -1.78 eV (average -1.43 eV), comparable to Pt$_n$ and Fe$_n$ clusters. Atomic hydrogen adsorption spans a broader range from +0.49 to -1.46 eV, reflecting high site sensitivity. Nudged elastic band calculations for the first N--H bond cleavage reveal forward barriers of 1.1-1.4 eV, with the dissociated NH$_2^*$ + H$^*$ state lying below the molecular adsorption state for most compositions. Notably, the activation barrier depends critically on the local environment available for stabilizing the detached hydrogen atom. These findings establish W--B nanoclusters as tunable catalysts for ammonia decomposition and provide a structural foundation for their rational design.
We explore the connection between the low-temperature boundary of the ferromagnetic phase in the two-dimensional $\pm J$ random-bond Ising model, where antiferromagnetic bonds occur with probability $p$ and a geometric transition dubbed ``zero-weight percolation''. We argue that the onset of this percolation characterized by the emergence of a percolating path containing an equal number of $+J$ and $-J$ bonds is incompatible with ferromagnetic ordering. Due to its purely geometrical nature, this percolation criterion is a property of a disorder realization and is independent of the temperature, which in turn suggests that the ferromagnetic phase boundary is vertical below the Nishimori point in the $(p,T)$ plane. Using a dynamic-programming algorithm combined with finite-size scaling, we identify the critical disorder at which zero-weight paths first percolate as $p_c = 0.1000(2)$, and we extract the associated critical exponents $\nu = 1.26(1)$, $\beta/\nu = 0.85(1)$, $\gamma/\nu = 0.264(5)$, and fractal dimension $d_f \approx 1.11$. The value of $p_c$ is below the previously reported values of the critical disorder strength corresponding to the loss of the ferromagnetic order, both at zero temperature and the Nishimori point. Nevertheless, we argue that the percolation transition studied in this paper is behind the loss of ferromagnetism and thus provides a new, purely geometrical perspective on the stability of ferromagnetic order in disordered spin systems.
Experimental progress in quantum simulators highlights the role of long-range (LR) interactions in reshaping quantum criticality and stabilizing exotic phases beyond the short-range (SR) paradigm. We study ferromagnetic long-range quantum $O(n)$ models with interactions decaying as $1/r^{d+\sigma}$ and develop a perturbative renormalization-group expansion around the LR--SR boundary by setting $d=3-\epsilon$ and $\sigma=2-\delta$. In this parametrization, the full interacting LR window $2d/3<\sigma<2$ becomes $0<\delta<2\epsilon/3$, and is therefore perturbatively controlled. A two-loop calculation yields explicit expressions, in terms of $\epsilon$, $\delta$, and $n$, for the correlation-length exponent $\nu$ and for the frequency and momentum anomalous dimensions $\eta_\omega$ and $\eta_k$. The resulting exponents reduce to long-range Gaussian scaling at $\sigma=2d/3$ and to SR quantum Wilson-Fisher scaling in the $\sigma \to 2$ limit, thereby identifying $\sigma_*=2$ as the LR--SR boundary within the controlled $3-\epsilon$ expansion. Combining the RG results with scaling boundaries and classical LR analogies, we propose a $(d,\sigma)$ universality diagram for ferromagnetic long-range quantum $O(n)$ criticality and use it as an organizing framework for the phase diagram of long-range quantum spin chains.
The spatial confinement of defect-induced bound states is conventionally governed by the effective mass in dispersive bands. More recently, Compact Localized States (CLSs) arising from exact destructive interference have been utilized to achieve confinement in flat bands. However, CLSs rely on pristine lattice symmetries and fine-tuned defect profiles. The introduction of a generic local impurity inevitably breaks these strict phase-matching conditions, resulting in extensive bound states whose fundamental length scale has remained an open question. Here, we establish a third regime of confinement: the quantum metric bound state. We provide a rigorous mathematical proof demonstrating that in the absence of kinetic energy and CLS protection, the exponential decay length of these states is lower-bounded by the quantum metric of the unperturbed flat band. We demonstrate the tightness of this geometric limit by constructing a family of highly tunable flat-band generators, and we verify its universality across diverse realistic architectures. Ultimately, this classification establishes the independently measurable quantum metric as a predictive design principle for engineering confined modes in synthetic wave platforms.
Recent advances in the work with ultracold condensates of polar molecules have enabled the realization of highly tunable self-bound quantum droplets (QDs), with the help of dual microwave fields dressig the dipole-dipole interactions (DDIs) It has been reported that symmetry properties and the equilibrium phase diagram of such QDs can be controlled by parameters of the two microwave fields. However, the effect of these fields on the formation and dynamics of the QD has not yet been systematically explored. Here we address self-bound QDs in a regime dominated by non-axisymmetric DDIs and governed by the extended Gross-Pitaevskii equation with the Lee-Huang-Yang corrections. Within this framework, we identify the existence region of the self-bound QDs and characterize their chemical potential, total energy, effective volume, peak density, and geometric anisotropy. The results reveal a pronounced nonmonotonous dependence on the non-axisymmetric DDI strength, whereas the increase of the number of particles in the condensate leads to tighter bound and more anisotropic QDs. Furthermore, reducing the s-wave scattering length drives a transition from stable self-bound states to the collapse. Collisions between QDs moving along different directions reveal a strong directional dependence, with outcomes ranging from quasi-elastic rebound and merger to fragmentation.
The Mpemba effect states that initially hotter systems cool faster than colder ones. While known in convective, conductive, and quantum systems, its radiative analogue is unexplored. Here, this anomaly is realized via phase-change hysteresis of a VO$_2$ nanoparticle near a SiC substrate. After analytically deriving an onset condition, the phase space is mapped. Crucially, latent heat acts as a thermal buffer enabling both ordinary and inverse effects. Near-field coupling governs the relaxation time and enables a passive effect where memory is stored externally via substrate reflection.
Understanding dynamical properties of quantum many-body systems remains a central challenge because excitations generally require information beyond a ground-state wave function. Here we introduce a neural polaron ansatz that represents quasiparticle excitations by neural many-body operators acting on a correlated ground state. Instead of learning an independent excited-state wave function, the method parameterizes a local dressing operator through a compact neural head defined on the feature map of a pretrained ground-state network. This operator-based construction builds in translation symmetry, momentum resolution, and quasiparticle locality, while separating ground-state correlations from excitation-specific dressing. We benchmark the method on the square-lattice $J_1$-$J_2$ Heisenberg model, where it accurately reproduces magnon dispersions and spectral weights over a broad range of frustration. In particular, it captures nontrivial many-body features including the $(\pi,0)$ anomaly and its progressive softening with increasing $J_2/J_1$. These results establish neural operators as a physically transparent route for extending neural quantum states from ground-state properties to dynamical response.
Nanosized hafnia-zirconia (HfxZr1-xO2) in the form of thin films, multilayers, and nanoparticles are indispensable CMOS-compatible ferroelectric materials for advanced electronic memories and logic devices. Using the Landau-Ginzburg-Devonshire free energy functional with trilinear and biquadratic couplings of polar, nonpolar, and antipolar order parameters, we analyze the pyroelectric and electrocaloric properties of an ensemble of spherical core-shell HfxZr1-xO2 nanoparticles. Complementary to theoretical calculations, we experimentally measure the temperature dependence of the electric charge accumulated in pressed powders consisting of oxygen-deficient Hf0.5Zr0.5O2 nanoparticles with an average size of 7 nm. The observed temperature-dependent behavior of the accumulated charge and its derivative with respect to temperature are in qualitative agreement with the dependences of polarization and pyroelectric coefficient calculated for the ensemble of densely packed spherical core-shell HfxZr1-xO2 nanoparticles. Thus, these results can open the way for creation of CMOS-compatible HfxZr1-xO2 nanoparticles for pyroelectric, electrocaloric, and thermoelectric applications.
The precise realization of molecular electronic devices requires a comprehensive understanding of charge transport mechanisms and the specific interplay between electronic and nuclear degrees of freedom. While average current measurements (I-V characteristics) and conventional Inelastic Electron Tunneling Spectroscopy (IETS) offer valuable insights, they are fundamentally limited by temperature-dependent line-width broadening. This study presents a high-resolution spectroscopic methodology utilizing suspended-wire molecular junctions (SWMJs) based on self-assembled monolayers (SAMs) of 1-decanethiol (C10) and 1,1',4',1''-terphenyl-4-thiol (TPT). By systematically probing the voltage-dependent current noise (${\Delta}I$), we demonstrate that electronic noise spectroscopy circumvents thermal degradation by probing transition rates between vibrational manifolds rather than simple additions of conductance channels, which enables sub-thermal feature mapping. Leveraging a fast-convolution-based Landauer-Büttiker transport model fitted to experimental data, we map complex vibrational manifolds, including high-energy overtones. This allows for the direct extraction of crucial nanoscale molecular parameters, including mode energies, anharmonicities ($x_e$), dissociation energies ($D_e$), and local environment reorganization energies ($E_r$). These parameter-dense noise signatures act as a unique molecular fingerprint, establishing noise spectroscopy as a highly sensitive platform for chemical sensing and discrimination in advanced quantum devices.
Skeletal editing enables precise structural modifications of molecules at late stages of a synthetic sequence, with applications in drug discovery and materials science. We recently demonstrated skeletal editing on the single-molecule scale. Voltage pulses applied by the tip of a scanning probe microscope to an oxygen-containing seven-membered heterocycle led to both oxygen deletion and ring-contraction rearrangement reactions. An open question is whether selective skeletal editing of a heterocyclic core can be achieved by an appropriate choice of the heteroatom. Here, we show that tip-induced reactions of an analogous sulfur-containing seven-membered ring results in sulfur deletion in virtually all cases. Our results demonstrate that the combination of tip-induced chemistry and heteroatom selection in the molecular design is a powerful strategy for single-molecule skeletal editing, with the potential to enable diverse structural transformations of heterocyclic frameworks.
Higher-order topological insulators (HOTIs) have revolutionized our understanding of wave localization, extending the bulk-boundary correspondence to lower-dimensional hinges and corners. Thus far, the realization of mechanical HOTIs has relied exclusively on discretely engineered metamaterials or periodic phononic lattices. Here, we report a fundamental paradigm shift by demonstrating that continuous, homogeneous hyperelastic manifolds undergoing finite multiaxial deformations naturally harbor intrinsic higher-order topological phases. By extending the generalized Stroh-Lie impedance formalism into a fully coupled 3D finite-strain framework, we map the highly nonlinear orthotropic geometric frustration onto a four-band effective Dirac Hamiltonian spanned by Clifford $\Gamma$-matrices. We reveal that macroscopic orthogonal stretches act precisely as competing Dirac mass terms, driving the continuous spatial transitions of topological domain walls and triggering a breakdown of $C_{4v}$ spatial symmetry. Remarkably, we analytically prove that beyond classical 2D surface wrinkling (1st-order topology), concurrent multiaxial extreme compression unconditionally triggers the emergence of 1D hinge states (2nd-order) and completely localized 0D zero-energy corner states (3rd-order). We further extend this static bifurcation framework into the elastodynamic regime, proving the existence of mid-gap localized vibrational modes. The theoretically derived topological phase diagram, nested Wilson loops, and fractional corner charges are comprehensively verified. Finally, we propose a concrete experimental realization using electro-active dielectric elastomers, enabling the dynamic programming of 0D topological singularities.
The thermal Purcell effect describes the modification of the local density of states of the fluctuating electromagnetic field induced by a Fabry-Pérot cavity, leading to the enhancement or suppression of radiative transport quantities. Using fluctuational electrodynamics, we investigate nonequilibrium radiative heat, linear-momentum, and angular-momentum exchange between a magneto-optic nanoparticle and a Fabry-Pérot cavity. Analytical expressions for the spectral densities reveal that geometric confinement modifies the electromagnetic local density of states, producing distinct behaviors for different transport quantities. Specifically, sub-wavelength confinement enhances radiative heat and angular-momentum transfer, but suppresses the lateral force. Additionally, interference between cavity modes causes all transfer quantities to oscillate spatially with particle position. At the cavity center, mirror symmetry enforces a parity decomposition of electromagnetic fluctuations resulting in a vanishing lateral force, whereas heat transfer and torque remain finite through combined even and odd modal contributions. These results demonstrate that cavity engineering provides selective control over nanoscale energy and momentum transfer via structured electromagnetic fluctuations.
Granular materials dissipate energy efficiently through intergranular interactions, yet their disordered, dense nature precludes precise control and integration into lightweight systems. Architected materials offer tunable mechanical responses at low densities but tend to localize stress, limiting dissipation efficiency. Here, we introduce hierarchical granular metamaterials that reconcile these trade-offs through three levels of design: lightweight architected grains engineered with hollow elliptical inclusions, crystal-inspired grain packings, and functional gradients and defects within grain tessellations. These metamaterials exhibit simultaneous increases in impact energy absorption per unit mass and reductions in transmitted peak force at low densities, outperforming conventional architected materials. In situ nanomechanical experiments and nonlinear computational models reveal that enhanced lateral grain expansion drives recruitment of neighboring grains, amplifying plastic and frictional dissipation. Multiscale impact experiments confirm that these mechanisms persist across length scales, constituent materials, and dimensionalities. Beyond mechanical performance, we demonstrate that spatially programmable inter-grain contact networks enable deterministic routing of deformation, which extends to electrical transport pathways independently of packing geometry. By combining granular principles with architected material design, this work establishes a paradigm for multifunctional metamaterials whose contact topology, mechanical response, and transport properties can be programmed independently.
Iron chalcogenides exhibit rich phenomena which are governed by orbital-dependent electronic interactions and strong electronic correlation. In particular, many studies have explored orbital selectivity in FeTe through Se doping. Here, applying tensile strain to thin films allows us to precisely control the system without other impurities that may arise from chemical doping to investigate the emergent behaviors in FeTe. Using angle-resolved photoemission spectroscopy, we observe a spectral weight transfer between $d_{\rm xy}$ and $d_{\rm z^{2}}$ orbitals, evidence of an orbital-selective Mott phase (OSMP). Beyond OSMP, we reveal hitherto unobserved strain-induced effects, distinct from chemical doping. The evolution of $d_{\rm xz}$ orbital demonstrates how electron hopping mechanism plays an important role in defining the electronic properties of the system. Our findings highlight a direct correlation between epitaxial strain and the evolution of electronic structures in FeTe.
We introduce a gauge-propagation approach for approximately converting generic tensor-network states into an isometric tensor-network state form with a prescribed orthogonality center. In one dimension, this propagation is exact because the non-isometric factor produced by a QR or singular-value decomposition is supported on a single virtual bond. In higher-dimensional networks, however, a local step can have several outgoing directions, and the residual factor is generally not separable into independent single-bond contributions. We address this local obstruction by approximating a local tensor, or a contracted local cluster, by structured terms consisting of an isometric factor multiplied by a tensor product of output-leg factors. The isometric factor is retained at the current site or cluster, while the output-leg factors are absorbed into neighboring tensors along the propagation directions. This construction provides a local truncation criterion for gauge propagation and a practical route to refinement by increasing the number of retained terms or enlarging the local cluster. Benchmarks on random tensors and on the loop-gas tensor representation of the Kitaev spin liquid show that this refinement reduces both local residuals and accumulated propagation errors. For the loop-gas tensor, two structured terms reduce the local residual to numerical precision, and enlarging the local object from 2-in-2-out to 4-in-2-out and 6-in-2-out clusters lowers both local truncation errors and accumulated errors in finite honeycomb gauge propagation. These results identify propagation-compatible local decomposition as a useful building block for approximate isometrization and as a potential initializer or preconditioner for variational isoTNS algorithms.
Silicon carbide is a leading candidate material for advanced nuclear energy systems, but irradiation-induced defects and transmutation products can severely degrade its thermal conductivity. In fusion environments, Mg is predicted to be a major solid transmutant in SiC, yet it is not well understood how different Mg-related defects affect phonon transport. Here, we develop a machine-learning interatomic potential, MLIP4SiC-Mg, for 3C-SiC containing intrinsic point defects, Mg-related defects, and Mg-defect complexes. The potential is trained on a large DFT dataset and reproduces DFT energies, forces, equation-of-state behavior, phonon dispersions, and lattice thermal conductivities with near-DFT accuracy. Combined with Green-Kubo molecular dynamics, force-error correction, and a resistance-based treatment for dilute defective systems, MLIP4SiC-Mg enables quantitative thermal-conductivity calculations in large defective supercells. The corrected thermal conductivity of pristine 3C-SiC is 421 W/(mK) at 300 K, in good agreement with available experimental data. All defects considered strongly reduce thermal conductivity, but their scattering strengths are highly configuration dependent. V_C and Mg_TC act as strong phonon scatterers, whereas isolated Mg_Si is comparatively weak. Residual thermal resistivity analysis shows that defect-induced thermal resistance is not strictly linear with concentration and should be treated as an effective temperature- and concentration-dependent scattering metric. Mg_Si-V_C clustering enhances scattering relative to isolated Mg_Si, but reduces the total excess resistance relative to spatially separated Mg_Si and V_C defects. These results clarify the configuration-dependent role of Mg transmutation in irradiation-degraded SiC and provide an atomistic framework for quantifying defect-controlled heat transport in nuclear ceramics.
Computational materials discovery commonly ranks candidate materials by their thermodynamic stability on the formation energy convex hull, yet many predicted-stable phases resist synthesis. We propose that solid-state synthesizability through interfacial-melt-mediated routes requires an additional thermodynamic condition: the interfacial melt at the target composition must itself remain locally stable against spinodal decomposition. We demonstrate this in the classical Fe--B system, where thermodynamically stable FeB$_4$ has been reported under high-pressure synthesis but not in low-pressure synthesis attempts. Using melt--quench molecular dynamics driven by a fine-tuned machine-learning interatomic potential, we find that, at ambient pressure, the B-rich interfacial melt near the FeB$_4$ composition develops a concave free-energy landscape, signaling a demixing instability that is corroborated by the concentration--concentration structure factor and correlated with low-energy icosahedral and pentagonal-pyramidal boron motifs. Applied pressure introduces a convex $PV$ contribution that restores melt stability, consistent with the experimental synthesis boundary. Interfacial-melt stability, which atomistic simulations can assess via structure-factor divergence, is thus proposed as a practical thermodynamic screening descriptor of synthesizability for AI-assisted materials discovery.
Optical control of quantum materials has progressed along two separate directions: creating non-equilibrium states inaccessible at equilibrium, and coherently controlling ultrafast dynamics with multi-pulse protocols. Ferroelectricity is especially attractive in this context because its order parameter, macroscopic polarization, directly links inversion-symmetry breaking to functional response. Yet light-induced ferroelectricity has so far been confined to quantum paraelectrics near the ferroelectric instability, where critical fluctuations obscure the formation of a homogeneous ferroelectric state and complicate its deterministic coherent control. Unifying these capabilities -- preparing a symmetry-broken state and then coherently steering its functionality -- remains a central challenge. Here we show that intense terahertz excitation of a soft phonon mode induces a ferroelectric state in centrosymmetric PbTe, a thermoelectric material with strong lattice anharmonicity but no ferroelectric transition at finite temperature. The light-induced symmetry-broken state can be realized up to about 100 K, without relying on local dipolar fluctuations. Experiment and theory together reveal that terahertz-driven anharmonic coupling between degenerate transverse optical phonons underlies this ferroelectric induction. Furthermore, we demonstrate coherent amplification and suppression of the induced polarization via a double-pulse-excitation protocol. These results establish terahertz-driven anharmonic mode coupling as a general strategy for controlling mode-mediated functionalities in quantum materials, opening a route to ultrafast information processing.
The collective behavior of passive particles within chiral active matter has emerged as a significant area of soft matter research. However, most existing studies focus on systems where chirality is imposed by external torques rather than intrinsic activity. In this work, we study emergent dynamics in a suspension of active spinners and passive colloids by computing many-body hydrodynamic interactions via Ewald summation. By systematically exploring a broad range of area fractions and rotational velocities, we identify distinct phase-separation regimes sensitive to the system's kinematic parameters. Specifically, we report the emergence of unique structural morphologies, including the formation of passive particle vortices surrounding phase-separated active spinners and the development of large-scale active-passive bands. We characterize the underlying dynamics by analyzing the temporal evolution of characteristic length scales and the non-equilibrium velocity distributions of the passive particles. Our findings provide new insights into the role of long-range hydrodynamic couplings in governing the self-organization of non-equilibrium condensed matter.
Efficient sampling of the Boltzmann distribution in frustrated spin glasses is central to statistical mechanics and combinatorial optimization. Despite advances in machine-learning-based approaches, two issues persist: limited understanding of why variational models fail to benefit from increased scale, unlike the monotonic scaling law of large language models; and high computational cost on large systems that negates advantages over classical sampling methods. Here, we develop a physics-inspired transformer with interpretable sparse attention and spin-tailored positional embeddings to address these challenges. By further leveraging FlashAttention for parallel ancestral sampling, it achieves up to two orders of magnitude speedup over vanilla variational autoregressive networks, enabling neural-network simulations of spin-glass systems to unprecedented sizes on a single GPU. It can resolve full probability distributions, free energies, and overlap statistics across temperatures, for Sherrington-Kirkpatrick and 2D or 3D Edwards-Anderson models, where existing machine-learning methods encounter limitations at certain temperatures. This framework thus establishes a scalable paradigm for frustrated spin-glass systems.
Frustrated magnets host strong quantum fluctuations that can suppress conventional magnetic order and give rise to exotic quantum phases such as spin liquids. In some cases, however, quantum fluctuations lift classical degeneracies and stabilize ordered states via an order-by-quantum-disorder mechanism. The spin-7/2 honeycomb antiferromagnet GdZnPO has recently been proposed as a spiral spin-liquid candidate arising from cooperative fluctuations among a subextensively degenerate manifold of spiral states. Here, we investigate the local magnetization and spin dynamics in GdZnPO using nuclear magnetic resonance. In an intermediate field regime between $\sim$3 T and the saturation field ($\sim$12 T), we observe a spatially uniform magnetization and persistent low-energy spin dynamics down to 0.033 K, with no detectable symmetry breaking, providing spectroscopic evidence for a spin-liquid state. At lower fields below $\sim$3 T, a weak stripe order emerges below $\sim$0.25 K; however, strong fluctuations persist, as indicated by a nearly temperature-independent and unusually large spin-lattice relaxation rate in the low-temperature limit. Our results demonstrate that spin-7/2 quantization weakly lifts the spiral degeneracy, stabilizing subtle magnetic order while preserving robust dynamics and spin-liquid phenomenology. These findings establish GdZnPO as a promising platform for exploring spin liquids in high-spin frustrated magnets down to the lowest accessible temperatures.
We investigate the interplay between spin-density-wave (SDW) order and superconductivity in the bilayer nickelate La$_3$Ni$_2$O$_7$ using the functional renormalization group~(fRG) applied to multiorbital weak-coupling models of both the ambient- and high-pressure crystal structures. As Hund's coupling increases, the leading instability evolves from superconductivity to an SDW state with ordering vector $\mathbf{Q}_1 \approx (\pi/2,\pi/2)$ (equivalently $\mathbf{Q}_Y \approx (0,\pi)$ in the orthorhombic $Amam$ unit cell), in agreement with experimental observations. Surprisingly, the ambient- and high-pressure structures exhibit nearly identical non-interacting susceptibilities and leading fRG instabilities, indicating that the emergence of superconductivity under pressure cannot be explained solely by changes in the low-energy electronic structure. Instead, our results identify the suppression of orthorhombicity as a key ingredient for superconductivity. As the system approaches the tetragonal limit, symmetry-related SDW fluctuations become nearly degenerate, frustrating long-range magnetic order while enhancing pairing interactions. These findings highlight lattice symmetry as a central tuning parameter of the competing ordered states in bilayer nickelates and suggest that reducing orthorhombicity through uniaxial strain could stabilize bulk superconductivity already at ambient pressure.
The classic Rytova-Keldysh potential describes the non-local dielectric screening of Coulomb interactions in ultrathin two-dimensional (2D) materials. Recently, the corresponding potential for arbitrary in-plane anisotropy was derived in integral form, with numerical studies suggesting that an effective isotropic approximation remains robust for highly directional systems. In this paper we provide the analytical foundation for these observations by mapping the complete spatial landscape of the strongly anisotropic Rytova-Keldysh interaction. By applying the method of steepest descent and momentum-space coordinate scaling to the exact one-dimensional integral representation, we derive closed-form asymptotic expressions for the potential across all spatial regimes. We find that the intermediate-range screening exhibits a non-trivial amplitude scaling driven by the direction of weakest polarizability, while the short-range limit produces an anisotropic logarithmic well governed by the geometric mean of the principal polarizabilities. Finally, utilizing this short-range confinement, we implement an anisotropic Gaussian variational ansatz to solve the Wannier equation, providing a closed-form analytical expression for the exciton ground-state binding energy that explicitly captures the competition between the effective mass and dielectric tensors.
The notion of pink noise refers to 'scale-invariant' temporal dynamics, where fluctuations exhibit similar statistical structure across time scales. Departures from a regime associated with such scale-free organization toward uncorrelated 'white' noise or overly persistent 'brown' noise have been widely identified as markers of pathology across physiological and cognitive domains. Whether comparable alterations characterize the temporal organization of language remains largely unexplored. We address this question in the domain of psychosis, where language anomalies are pervasively documented. Specifically, we apply detrended fluctuation analysis (DFA) to quantify temporal scaling in BERT-derived continuous cosine-similarity time series capturing trajectories through semantic space, using clinical transcripts from patients and controls across three independent datasets. DFA scaling exponents were extracted to characterize the strength of long-range temporal correlations. Across all datasets, patients exhibited significantly elevated scaling exponents relative to controls, indicating abnormally strong long-range correlations with excessive persistence in semantic fluctuations. This temporal analysis opens a window into the multi-timescale organization of meaning as it unfolds in discourse. The results reveal a signature of altered temporal scaling in speech, consistent with deviations from criticality in physiological domains, paralleling known departures from criticality in brain function in psychosis and suggesting possible links between these two domains.
Understanding the spatial distribution of carriers is important for interpreting transport in nanoscale devices. Here, we apply conductance fluctuation tomography to planar selective-area-grown InAs nanowires in both normal-normal and normal-superconductor device geometries. By tracking the evolution of conductance-interference features as a function of magnetic-field strength and orientation, we extract information about the geometry of phase-coherent transport pathways. Using theory to distinguish between bulk-dominated transport, coherent near-surface transport across facets, and transport confined to individual facets. The measurements are consistent with transport dominated by a near-surface accumulation layer in InAs. Devices with normal contacts show behavior consistent with coherent transport across the nanowire apex, whereas hybrid normal-superconductor devices exhibit signatures of more facet-dependent transport. These results demonstrate how universal conductance fluctuations can be used as a tomographic probe of phase-coherent transport pathways in semiconductor nanostructures.
Electron screening of positive charges in metals is most strongly nonlinear in the static near-field regime. We revisit screening of a static single protonic charge in a homogeneous electron gas, focusing on the induced density and the contact Hartree energy $U_{\text{H}}(0)$. Although evaluated at the impurity position, $U_{\text{H}}(0)$ is not purely local: our formulation makes it explicit as a nonlocal quantity set by a radial moment of the full induced density, applicable to both linear-response and nonlinear density-functional-theory (DFT) descriptions. We compare Thomas--Fermi, Lindhard/random-phase-approximation, and local-field-corrected dielectric models with nonlinear DFT benchmarks. The Estreicher--Meier local-density-approximation (LDA) parametrization reproduces the contact Hartree energy from our direct LDA calculations and the self-consistent results of Almbladh \emph{et al.} [\href{this https URL}{Phys. Rev. B \textbf{14}, 2250 (1976)}]. This validates the unified $U_{\text{H}}(0)$ implementation, separates the hydrogenic density profile from non-negligible Friedel oscillations, and provides a compact nonlinear reference for linear-response theory. Testing modern local-field factors, the Corradini--Del Sole--Onida--Palummo and Kaplan--Kukkonen parametrizations yield indistinguishable contact screening despite differing near $q\simeq 2k_F$. We also analyze Yukawa, hydrogenic, and Hulthén screened Coulomb potentials via a variable-phase scattering formulation constrained by the Friedel sum rule; these give a useful phase-shift representation of static screening but cannot alone reproduce the nonlinear DFT contact Hartree energy. The results establish a one-center nonlinear screening benchmark for proton impurities in jellium and clarify the baseline needed before treating two-center screening relevant to low-energy fusion in condensed matter.
We investigate dimensional crossovers in minimal tight-binding models of three-dimensional (3D) topological insulators subject to geometric confinement. While thin films are commonly understood to host a crossover from a 3D strong topological insulator to a two-dimensional (2D) quantum spin Hall phase via hybridization of surface states, we demonstrate that this picture is incomplete once bulk confinement effects and boundary termination are fully taken into account. Using lattice models, we show that reducing the system size induces a strongly non-monotonic dependence of the topology on thickness and microscopic parameters, leading to a sequence of topological phase transitions that is highly sensitive to surface termination. In particular, we find a cascade of dimensional reduction from a 3D topological insulator to a 2D quantum spin Hall phase and ultimately to a one-dimensional phase consisting of end states of Kramers pairs protected by inversion symmetry. Remarkably, we show that both the 2D and 1D topological phases can emerge even when the corresponding 3D bulk phase is topologically trivial. Our results reveal an unexpected universality in the phase diagrams of 3D-to-2D and 2D-to-1D crossovers, pointing toward a unified framework for topology under dimensional reduction.
We study tunneling through a square barrier in a rotationally symmetric Rarita-Schwinger semi-metal and identify fingerprints of an Imbert-Fedorov-like effect in the tunneling transmission. The problem is intrinsically multichannel at all energies because there exist two propagating sectors with spin projections $m=1/2$ and $m=3/2$. We derive the transmission amplitudes analytically and compare the single-channel and coherent mixed-incidence cases in the two channels. Interestingly, we observe that tunneling at high energy shows a bias towards scattering into spin projection $3/2$ contributions. For single-channel injection, we find that the transmission remains symmetric under a mirror transformation of the incident angle. In contrast, for the coherent superposition, we find a directional asymmetry in the transmission probability $T(k_y)\neq T(-k_y)$. Importantly, this effect does not originate from an anisotropy of the dispersion. Instead, it arises from the phase structure of the multicomponent scattering states. The two spin projection sectors exhibit different scattering and barrier-propagation phases, which enter as interference terms when both channels appear as a coherent superposition. This interference term is identified as the cause of the broken mirror symmetry. We therefore discover an analog of the Imbert-Fedorov effect, at the level of interface-induced phase differences between internal wave components. Our result demonstrates that asymmetric tunneling can already occur in transport experiments, even in an idealized, isotropic multiband system, and should therefore not be automatically attributed solely to explicit band anisotropy.
We investigate the angular-time evolution -- a parameter-time evolution generated by the entanglement Hamiltonian -- for the bipartitioned ground state of the S=1 bilinear-biquadratic chain under the open boundary condition with the up edge spin. Using a matrix-product-state representation of the ground-state wavefunction, we calculate the angular-time spin correlation functions $\langle S_n^{\alpha }(\tau )S_{n'}^{\alpha }(0)\rangle$ in the Haldane phase, and extract its dominant oscillation mode attributed to the nearly two-fold-degenerate entanglement spectrum associated with the $\mathbb{Z}_2 \times \mathbb{Z}_2$ symmetry. We also compute the effective edge-spin dynamics under a uniform magnetic field applied to the system part and numerically verify its correspondence to the dominant angular-time mode by precisely comparing the subsystem-size dependence of their amplitudes.
Defect transport in chemically disordered materials is a difficult phenomenon to model since migration energetics depend strongly on the local chemical environment, producing a distribution of transition barriers that cannot be exhaustively enumerated. Here, we develop a reduced-order approach to modelling defect diffusion in compositionally complex materials using environment-dependent surrogate kinetics. Migration energetics for actinide vacancies, nitride vacancies, and actinide-nitride divacancies in U$_x$Pu$_{1-x}$N are generated using the Hop-Decorate workflow across thousands of chemical configurations. These data are distilled into compact surrogate functions that predict migration barriers and energy differences from simple descriptors based on local coordination counts. The surrogate models reproduce the atomistic dataset with low error and enable efficient evaluation of migration rates during lattice kinetic Monte Carlo simulations. Long-time diffusivities computed across temperature and composition reveal strongly non-linear behaviour arising from two dominant mechanisms: species-controlled migration on the actinide sublattice and environment-dependent trapping on the nitride sublattice. Although demonstrated for U$_x$Pu$_{1-x}$N the framework provides a general and computationally efficient approach for modelling defect transport in chemically disordered materials and for integrating atomistic kinetics into higher-scale simulations.
Topological magnets with nontrivial spin texture have attracted considerable interest because they display a rich spectrum of emergent quantum phenomena. Here, we present a combined experimental and theoretical investigation of the magnetic and magnetotransport properties of EuAuAs, an antiferromagnet with Néel temperature ($T_\mathrm{N}$) $\sim$ 6 K. The temperature and magnetic field dependence of electrical resistivity and magnetization demonstrate that the charge transport in EuAuAs is strongly influenced by the spin configuration of local Eu moments. Below $T_\mathrm{N}$, both longitudinal magnetoresistance (LMR) and transverse magnetoresistance (TMR) are positive at low fields but large and negative at high fields. With increasing temperature, TMR becomes positive above 60 K, whereas LMR remains negative up to 100 K. The low-field positive LMR and TMR originate from weak antilocalization (WAL). The WAL contribution in TMR is well captured by the Hikami-Larkin-Nagaoka model, whereas the LMR data are described by a generalized Altshuler-Aronov framework. Moreover, we observe a giant topological Hall effect arising from the scalar spin chirality, which is further supported by the helical magnetic structure obtained from the ab-initio calculations. The observed anisotropy in longitudinal resistivity and magnetoresistance underscores the very nature of the Fermi surface of the EuAuAs, as confirmed by first-principles calculations. These results establish EuAuAs as a unique platform for exploring the interplay between electronic structure and noncoplanar spin texture in a centrosymmetric helical magnet.
The focus of the present work is the development of specialized experimental instrumentation compatible with synchrotron characterization for in-situ and operando symmetric intermediate temperature solid oxide fuel cells (IT-SOFC) studies at maximum temperatures of 800 C , exposed to reducing and oxidizing atmospheres, using fluorescence X-ray absorption spectroscopy (XAS) measurements in combination with electrochemical impedance spectroscopy (EIS) in the multipurpose Quati beamline at CNPEM/SIRIUS synchrotron facility [1]. Symmetric IT-SOFC are gaining importance due to their structural simplicity, as they allow for the use of identical materials on both sides of the fuel cell electrolyte; the anode, and the cathode [ 2,3 ]. The symmetric configuration opens new opportunities for fundamental research of electrode materials and improves the versatility of SOFC electrochemical devices [2,3].
We demonstrate that analysis of the spin polarization of a quantum dot (QD) attached to the topological wire can provide valuable insights into Majorana zero mode (MZM) formation and topological phase transition. Detection is realized by rotation of the Zeeman field in the wire, while retaining the Zeeman field direction in the dot intact. In the presence of Majorana mode, the effective QD spin polarization at Fermi energy changes significantly when the direction of the Zeeman field in the wire changes from parallel to perpendicular to the wire axis. It can be opposed to the wire in its trivial state, when spin polarization remains practically constant while the magnetic field is rotated. Similar unaltered spin polarization is observed when QD spin sub-level at Fermi energy mimics MZM. Moreover, the characteristic non-linear dependence of the spin polarization on the magnetic field magnitude at its critical value identifies a topological phase transition in the wire. This feature is observed independently on the coupling strength of the wire to the dot and the angle of the Zeeman field.
If disk detection is applied to nanobeam electron diffraction datasets, then the results are effectively a list of vectors describing the position of every diffraction peak in real and reciprocal space. This is the natural territory for the application of clustering algorithms, and they are shown to be highly effective at decomposing such datasets and automating imaging and analysis. Examples are shown in both polycrystalline and single crystal (with precipitates) systems. Additionally, automated separation of amorphous or deeply nanocrystalline components is also found to be possible allowing composite images of both amorphous and crystalline components in partially crystallised samples to be easily and automatically generated. These advances promise to increase throughput in atomic structure analysis with nanobeam diffraction, and also make finding minor components much easier. They can also serve as a preliminary step towards more detailed crystallographic or crystal size/shape distribution analysis.
Granular flows in ambient fluids exhibit grain-size-dependent segregation, which is difficult to capture efficiently with existing models, especially in large-scale systems involving more than a million grains. We develop a two-way coupled framework that integrates heterarchical granular dynamics (HGD) with a fluid-fraction-weighted incompressible Navier-Stokes solver. This heterarchical granular-fluid dynamics (HGFD) model extends a previous HGD model for quasi-static deformations by introducing inertial, force-balance-driven particle velocities and consistent fluid-solid momentum exchange. The coupling between the inertial HGD and the fluid solver is performed using a staggered explicit sequential scheme and co-located Eulerian fields. The framework is evaluated against experimental data of (i) single-particle settling to verify inertial relaxation, (ii) hindered settling to reproduce concentration-dependent settling and vertical size stratification, and (iii) representative cases covering three reported segregation types to assess regime sensitivity. These results establish HGFD as an efficient and consistent approach for simulating fluid-coupled granular segregation dynamics.
Universal machine-learning interatomic potentials (MLIPs) are rapidly becoming general-purpose tools for atomistic simulation, but their role in quantitative materials modeling when reactive events are involved remains unsettled. We compare five universal MLIPs across seven chemically diverse systems and find that strong performance on standard benchmarks does not guarantee accurate predictions of target observables. In particular, zero-shot models do not reliably reproduce reactive, transport, or high-barrier processes, exemplified here in particular by the sulfur-vacancy jump in MoS$_2$. We therefore propose a practical alternative: universal MLIPs are used to generate long molecular dynamics trajectories, the resulting configurations are sub-sampled and relabeled with DFT, and material-specific MLIPs are subsequently trained or fine-tuned on the resulting first-principles datasets. This workflow converts universal models into efficient configuration-space generators while retaining ab initio reference labels for training. Across the tested systems, $2{,}000$ DFT-recalculated structures are often sufficient to obtain accurate fine-tuned or trained-from-scratch models. For the most challenging case, iterative self-training progressively refines the sampled configuration space and recovers the DFT MoS$_2$ potential energy profile with only $600$ first-principles calculations in total. The resulting workflow enables the generation of $1$ ns ab initio-quality trajectories - including training data generation and model creation - within three days.
These notes present a self-contained introduction to Wess-Zumino (WZ) terms in quantum systems with $SU(N)$ symmetry, emphasizing the interplay between geometry, topology, and condensed-matter applications. We begin with the $SU(2)$ spin coherent-state path integral, where the Berry phase appears as a WZ term encoding the symplectic structure of the Bloch sphere. This example is then used to introduce the geometric origin of topological terms, their relation to integral cohomology classes, and the role of Berry curvature as the first Chern class of the canonical $U(1)$ bundle. We next discuss physical realizations in which such geometric terms affect dynamics, including adiabatic Berry phases and geometric quantum noise in magnetic quantum dots. A substantial part of the notes is devoted to the condensed-matter motivation for higher $SU(N)$ symmetries, covering $SU(N)$ Heisenberg models, $SU(4)$ spin-orbital and spin-pseudospin systems, multipolar exchange interactions, and higher-spin multipolar orders. Finally, we develop the 0+1-dimensional $SU(N)$ superspin coherent-state construction, identify the phase space with $CP^{N-1}$, and derive explicit local WZ terms for $SU(3)$ and $SU(4)$. The appendices provide algebraic dictionaries connecting the abstract superspin language with concrete physical embeddings, including multipolar generator bases and several useful $SU(4)$ parametrizations.
Obtaining definitive evidence for zero-magnetic-field exciton superfluidity in electron-hole bilayers remains a longstanding challenge because the condensate is electrically neutral and its phase coherence is difficult to probe directly. We propose a direct test based on Shapiro steps in a Dayem-bridge excitonic Josephson junction. We predict clearly resolvable Shapiro plateaus in experimentally accessible current and voltage regimes for double-bilayer graphene and, in the low-density regime, double-layer transition-metal dichalcogenides. Moreover, by tuning the density across the BCS-BEC crossover we show that the Shapiro response acquires a distinct nonmonotonic evolution. This is determined by the nonmonotonic behavior of the healing length in the crossover from bosonic to fermionic excitations. Observation of these signatures would provide direct evidence of exciton superfluidity and establish exciton bilayers as a platform for neutral Josephson devices.
The transfer of aligned graphene nanoribbons from metallic growth surfaces to device-compatible platforms remains a central bottleneck for nanoribbon electronics. Here, we investigate step-edge passivation of vicinal Au(788) by chevron-GNRs as a strategy to improve the transfer of aligned 9-armchair graphene nanoribbons. Scanning tunneling microscopy reveals that chevron-GNRs preferentially occupy step-edges, effectively acting as passivators that displace 9-AGNRs toward terrace centers, thereby altering their local growth configuration. To quantify transfer performance, we establish an automated large-area Raman analysis framework that enables pixel-wise classification based on the G mode and the radial breathing-like mode (RBLM). This approach provides a robust and scalable metric for assessing both transfer coverage and local ribbon integrity across macroscopic areas. Raman mapping uncovers strongly inhomogeneous transfer, characterized by extended regions with no detectable GNR signal and pronounced spatial variability in the RBLM-to-G intensity ratio. Transfer quality varies substantially across the sample series, with only a single high-yield outlier and most samples remaining well below 100% transfer yield. These results demonstrate that while chevron passivation locally modifies the growth configuration of 9-AGNRs on Au(788), it does not yet yield reproducible, high-quality transfer of intact aligned ribbons. The presented Raman-based analysis framework establishes a quantitative benchmark for the systematic optimization of GNR transfer strategies.
We predict that twisted bilayer graphene with large twist angle and small superlattice cell can be superconducting. Such a bilayer graphene can have a gap in the spectrum. This gap appears due to the hybridization of electrons moving in different layers with Fermi momenta close to the Dirac points which are equivalent to each other in the superlattice Brillouin zone. Small doping of the bilayer introduces charge carries having large density of states. We show that the screened Coulomb interaction is enough to stabilize superconducting state in the material. The symmetry of the order parameter is of the $d$-wave type. Application of the bias voltage increases the superconducting transition temperature. For realistic values of the model parameters the transition temperature can be as large as several hundreds of milikelvin.
The spinor degree of freedom associated to exciton-polariton condensates can spontaneously self-oscillate breaking time translation symmetry, thus showing a continuous time-crystal (CTC) behavior. An open question in such driven-dissipative and non-linear quantum open systems is what happens when CTCs are brought together to interact. Here we experimentally study polariton condensates in coupled traps, evidencing mutual induction and synchronization of the pseudospin temporal GHz dynamics in the CTC phase. The individual and relative orientation of the (limit cycle) precessing pseudospins can be tuned by the optical excitation power, displaying both ferro and anti-ferro dynamical configurations. We theoretically show that the exciton reservoir, and both the coherent and long-range dissipative inter-trap coupling, play important roles in the CTC dynamics. The investigation of time-broken symmetry is thus extended here to more complex non-hermitian systems opening the path to study self-sustained collective dynamics in lattices of non-linear quantum condensates.
Black phosphorus and its two dimensional counterpart, phosphorene, are typically synthesized through chemical vapor transport using Sn and I2 additives. Chemical vapor deposition synthesis of phosphorene and allotropes is still yet not well understood. Investigating the atomistic mechanisms underlying phosphorus transport and early stage processes is difficult experimentally. In this study, a reactive force field for the PSnI system was developed and applied using ReaxFF based molecular dynamics to explore the early stage phase of the pre nucleation relevant to BP-phosphorene growth. The force field parameters were trained on a comprehensive quantum mechanical dataset covering bond dissociation, angle and torsion profiles, and tin condensed phase equation of state and cluster formation energies, showing strong agreement in both gas and condensed phases. We demonstrate that iodine and density together control phosphorus recombination. Under low density, atomic phosphorus dominates with minimal clustering. Adding I2 greatly increases P-P recombination, promotes the formation of PxIy motifs, and transient SnxPyIz compounds. Higher density systems favor the formation of larger Px clusters and support the development of ternary SnxPyIz compounds that grow by capturing transported phosphorus. At the highest density, the system produces condensed, Hittorf like phosphorus structures at the edges of SnxPyIz clusters, along with BP-like hexagons stabilized by iodine that may act as nucleation seeds. These results offer an atomistic view of transport and early stage steps in BP synthesis and provide a practical reactive model for studying growth conditions and additive effects in BP phosphorene vapor synthesis.
We study spin squeezing in strongly interacting high-spin Fermi-Hubbard systems weakly coupled to light. We show that spin squeezing dynamics is qualitatively modified by the degeneracies associated with the internal spin structure. We identify these degeneracies as the microscopic origin of the breakdown of conventional maximal-spin description and develop an effective framework based on population eigenstates that quantitatively reproduces spin squeezing evolution. Our results uncover a generic mechanism by which degeneracy reshapes collective spin dynamics.
We report classical molecular dynamics simulations of NaCl association and dissociation in supercritical aqueous fluids over a wide range of salt concentrations, from moderate salinity to highly concentrated H2O-NaCl mixtures attainable at high temperatures. The degree of dissociation a and the corresponding ideal dissociation constant Kd, derived directly from a, were calculated as functions of the stoichiometric NaCl mole fraction at selected pressure-temperature (PT) conditions from 673.15 to 1273.15 K and from 0.1 to 2 GPa. At moderate salinity corresponding to a molality of approximately 1 mol/kg, NaCl remains largely dissociated a = 0.3-0.7 depending on pressure and temperature). In contrast, when the mole fraction of NaCl increases up to xNaCl = 0.333 (27.8 mol/kg), the degree of dissociation tends towards zero, and most ions form Na$^+$Cl$^-$ contact pairs and multi-ion clusters. As a result of these competing trends, the mole fraction of structurally dissociated Na$^+$ and Cl$^-$ ions is a non-monotonic function of the stoichiometric NaCl concentration and typically reaches a maximum at xNaCl = 0.06-0.10. This result shows that increasing salinity does not necessarily increase the abundance of structurally available chloride ions in supercritical aqueous fluids. Additional fixed density simulations at 1 and 7 mol/kg extend the analysis up to 1673.15 K and separate the effects of temperature and density on the associate/dissociate state of the ions. The obtained concentration dependences provide molecular-level constraints for thermodynamic descriptions of concentrated supercritical electrolytes and for evaluating chloride availability in high-temperature aqueous fluids.
Detailed balance underlies conventional Markov-chain Monte Carlo (MCMC) algorithms. Yet in classical systems, breaking detailed balance generates irreversible probability currents and can accelerate sampling. Whether irreversibility can similarly enhance quantum MCMC remains an intriguing question. Here we show that irreversibility provides a new route to improving the recent quantum-enhanced MCMC (QEMC), which combines quantum proposals with classical acceptance. By introducing state-dependent proposals that break detailed balance while preserving the target stationary distribution, we develop an irreversible quantum-enhanced Monte Carlo (IQEMC). Guided by Landau-Zener transitions, IQEMC promotes large energy descents from high-energy states while maintaining stable transitions near low-energy states. On spin-glass benchmarks, IQEMC outperforms QEMC without increasing computational complexity and, unlike the annealing baseline, exhibits a spectral gap that increases with system size and annealing speed. These results establish irreversibility as a physically grounded mechanism for enhancing quantum MCMC.
We investigate the $\mathrm{SU}(d)$ spin exchange model describing ultra-cold fermionic atoms with spin $s\ge 1$ in a one-dimensional optical lattice. The model emerges from the Fermi-Hubbard model in the strongly interacting regime with one atom in each lattice site. The central result of this work is the systematic construction of SE eigenstates in terms of magnetic sub-level populations. This representation provides a natural description of high-spin fermionic systems, where the underlying $\mathrm{SU}(d)$ symmetry gives rise to extensive degeneracies. We illustrate the usefulness of this framework for deriving effective Hamiltonians for a system weakly coupled to light through spin-orbit interactions, using a second-order Schrieffer--Wolff transformation projected onto the introduced population eigenbasis. These effective models provide a controlled description of the collective spin dynamics and capture the role of population redistribution among different collective spin length sectors induced by interactions. The agreement with the exact Fermi--Hubbard with light coupling dynamics confirms the consistency of the population eigenstates framework as a basis for describing high-spin quantum many-body systems.
LaCrSb$_{3}$ is a metallic ferromagnet with a layered crystal structure demonstrating intriguing electronic and magnetic properties, such as large anomalous Hall effect, strong canting of the spin lattice, and a peculiar spin-reorientation transition. Here, we report the results of the temperature-dependent x-ray diffraction, static magnetization, and in particular electron spin resonance (ESR) and ferromagnetic resonance (FMR) experiments carried out over a wide range of frequencies, magnetic fields, and temperatures. Though x-ray data reveals no structural transition down to 15 K, a strong magneto-elastic coupling is detected across the ferromagnetic transition at $T_{\rm C} \simeq 126$ K. ESR results indicate a presence of the quasi-static short-range correlations extending far above $T_{\rm C}$, which is a typical fingerprint of the low-dimensional magnetism. The frequency-field diagram of the FMR modes mapped below $T_{\rm C}$ strongly suggests presence of two magnetic sublattices in LaCrSb$_{3}$. A quantitative understanding of the FMR excitations was achieved within a phenomenological model of interacting orthogonal ferro- and antiferromagnetic sublattices which was earlier proposed to explain unusually strong spin canting observed by neutron diffraction [E.~Granado et al., Phys. Rev. Lett. 89, 107204 (2002)]. The FMR results corroborate this scenario and call for the development of the underlying microscopic model of unconventional magnetism in LaCrSb$_{3}$.
The Josephson effect, a hallmark of superconducting phase coherence, drives modern quantum technologies. However, Josephson-based quantum interference has hitherto been tethered to magnetic fields, despite phase coherence being a quintessential, intrinsic trait of superconductivity. Moreover, the Josephson diode effect (JDE) is typically viewed as an anomalous phenomenon indicative of broken symmetries in exotic phases of matter. Here, in planar Josephson junctions made with $\mathrm{Bi}_2\mathrm{O}_2\mathrm{Se}$ and bilayer graphene, we demonstrate that the JDE is a missing universal property of the Josephson effect. Simultaneously, we present an all-electric technology that replaces magnetic flux for controlling and measuring supercurrent interference. Central to our approach is a supercurrent gauge field (SGF), generated and amplified through high-kinetic-inductance superconductors and novel device architectures. By establishing the physical equivalence between the SGF and a magnetic field, we eliminate the reliance on external fields in quantum interference and reveal a universal, field-free JDE mechanism with broad implications for detecting broken-symmetry states. Finally, we show that the SGF offers capabilities beyond those of a conventional magnetic field by experimentally demonstrating a magnetic-free, phase-sensitive technique to construct and characterize finite-momentum superconductivity, opening new frontiers for exploring novel phases of matter and superconducting quantum architectures.
The spatial modulation of electron density into a wave-like pattern, known as charge density wave (CDW), represents a fundamental quantum state that often coexists with superconductivity, quantum Hall states, axion insulating phases and etc. Conventional CDWs are mediated by longitudinal acoustic phonons, exhibit picometer-scale lattice distortions ($10^{-12}$--$10^{-11}$ m), and typically vanish approaching the atomic limit. Here, we report a series of anomalous CDW behaviors in the 2D superatomic superconductor Au$_6$Te$_{12}$Se$_8$. Remarkably, its CDW is governed by transverse phonons, accompanied by an extraordinarily high real-space displacement of $\sim 4$ Ångström. Furthermore, we observe an exotic dimensional response persisting up to micrometer-scale thickness, a regime where other materials are already considered as bulk. Through liquid helium-temperature transmission electron microscopy, ultrafast pump-probe spectroscopy and transport measurements, we demonstrate a dramatic enhancement of the CDW transition temperature ($T_{\text{CDW}}$) from $<2$ K in the bulk to 110 K in approaching the ``superatomic limit''. Our findings not only reveal novel facets of both CDW and superatomic materials, but the competition between this anomalous CDW and superconductivity opens avenues for exploring unconventional electron-phonon interactions.
The bilayer kagome metal Ni$_3$In has recently attracted attention due to the presence of a flat band located near the Fermi level, which has been associated with unconventional thermodynamic and electronic transport properties [Ye et al., Nat. Phys. 20, 610-614 (2024)]. However, further investigation of the intrinsic properties of this system has been hindered by the lack of large, high-quality single crystals. Here, we report the successful growth of Ni$_3$(In, Sn) single crystals using a Pb-flux technique. By optimizing the growth conditions, competing binary phases can be effectively suppressed, enabling the synthesis of single crystals with dimensions reaching several millimeters. We compare the physical properties of our Pb-flux-grown crystals to previously reported samples prepared by iodine-assisted chemical vapor transport and molecular beam epitaxy as well as to first-principles resistivity calculations. We find a significantly lower electrical resistivity in our crystals, in excellent agreement with calculations of resistivity from electron-phonon scattering, a sizeable non-saturating magnetoresistance, and a reduced Sommerfeld coefficient and magnetic susceptibility compared to previous experimental findings, which are likely related to differences in the Fermi level position. Our results establish Pb-flux growth as a reliable route for obtaining large single crystals of the bilayer kagome metals Ni$_3$(In, Sn) that are suitable for further thermodynamic and spectroscopic investigations of their intrinsic electronic and magnetic properties.
Ferroelectricity in ultrathin films, characterized by robust switchable out-of-plane polarization, is key to next-generation nanoelectronics. Although the macroscopic theory of ferroelectricity suggests that ferroelectricity is inevitably suppressed as the film thickness decreases, recent studies have demonstrated robust ultra thin-film ferroelectricity, for certain ferroelectric materials, specifically HfO$_2$-based oxides and bismuth-based oxides. In this work, we develop an atomic-scale theoretical framework for understanding ferroelectricity in this limiting regime. By considering the work function of the termination layers of the film, we find that robust ferroelectricity arises from ``self-polarizing'' and ``switchable role of the termination layer'' effects strongly correlated to the ``characteristic structure.'' This theory also provides further insights on the importance of top electrodes in stabilizing ferroelectricity for this class of materials in the ultrathin limit. This work aims to develop a comprehensive theoretical framework for thin-film ferroelectricity, providing fundamental insights that can guide the design of next-generation nanoscale devices.
We report on the realization of a quantum-degenerate Bose-Bose mixture of 162Dy and 164Dy. Owing to the near-identical mass and polarizability of the two isotopes, the mixture thermalizes efficiently, with evaporation trajectories closely following those of the single-isotope case. Using a broad interspecies Feshbach resonance, we explore a miscible-immiscible transition between the two Bose-Einstein condensates. The tunability of the interspecies interaction, combined with the large magnetic dipole moment of Dy, makes this platform well suited for exploring dipolar effects in ultracold mixtures, including multi-component supersolidity.
In this work, Neural ODEs equipped with a curated collection of equilibrium points have been successfully employed for classification this http URL planted attractors serve as indicators for the target classes, while the velocity field leveraging the universal approximation capabilities of the architecture shapes the dynamical this http URL process defines the basins of attraction of the trained model, effectively directing each input provided as an initial condition toward its corresponding destination target.
A random walk with small positive drift $\mu$ sets new records at a rate $\lambda(\mu)$ that vanishes as $\mu \to 0$. For centered steps attracted to a stable law $Y$ with index $1 < \alpha \leq 2$ and positivity parameter $\rho = P(Y>0)$, we find $\lambda(\mu) \sim K\mu^{(1-\rho)/\nu}$, $\nu=1-1/\alpha$, as $\mu \to 0$. The result is exact for Gaussian and strictly stable steps, and extends at the leading-power level to their domains of attraction. The exponent is set by the asymmetry only through $\rho$, sweeping the interval $[1,\,1/(\alpha-1)]$ as the skewness varies. It recovers the Gaussian linear law with slope $\sqrt{2}$ and, for symmetric heavy tails, the power $\mu^{\alpha/2(\alpha-1)}$; beyond the stable tail ratio, distributional details enter through the prefactor $K$, which is explicit for strictly stable steps. The result follows directly from one Mellin transform of the harmonic sum in the Spitzer-Baxter identity, which factorizes into a kernel transform and a Riemann $\zeta$ factor whose poles deliver at once the leading law, its prefactor, and a correction ladder, unifying diffusive, heavy-tailed, and skewed walks. The same transform also yields the expected maximum, recovering Kingman's heavy-traffic law for queues and Siegmund's corrected-diffusion constant as adjacent poles.
Large language models (LLMs) are increasingly being integrated into first-principles computational workflows, yet their ability to configure scientific calculations remains poorly understood. Here, we introduce INCARBench, a benchmark for evaluating LLMs on input configuration for the Vienna Ab initio Simulation Package (VASP) through both configuration generation and repair tasks. Evaluating 19 model configurations reveals substantial capability differences among current frontier models. While several models achieve high semantic and policy accuracy, task-critical correctness remains substantially lower, demonstrating that parameter-level correctness does not necessarily imply scientifically valid configurations. Failure analysis shows that errors concentrate in physically coupled settings involving DFT+$U$, magnetism, and correlated materials, where multiple constraints must be satisfied simultaneously. Repair evaluation further reveals that correcting incorrect settings and preserving already-valid configurations are distinct capabilities, with configuration preservation remaining a major challenge. These findings establish scientific configuration as a measurable capability of large language models and provide a foundation for developing more reliable AI systems for computational materials science.
In the Hertz theory, a quantum critical metal is described by the coupling of a Fermi surface to fluctuations of a Landau-damped bosonic field $\phi$, which may represent either an order parameter or a Higgs field for a transition without symmetry breaking. Scattering from $\phi$ produces non-Fermi-liquid behavior in the normal state, while the same fluctuations mediate enhanced Cooper pairing. By the Harris criterion, symmetry-preserving disorder couples most strongly to the coefficient of the $\phi^2$ term, locally tuning the system toward or away from criticality. This random mass (``Harris disorder'') leads to a finite density of localized low-energy $\phi$ modes even when the fermionic states remain extended and continue to provide Landau damping. We study the onset of pairing mediated by these localized overdamped bosonic modes. Starting from a real-space linearized Usadel equation for the two-particle propagator, we show that the localized bosonic wave functions generate both a spatially random pairing vertex and an effective random potential for Cooper pairs. Numerical solution, a self-consistent Born approximation, and Lifshitz-tail analysis reveal two regimes of the pairing instability. At high temperatures, pairing nucleates compact superconducting puddles on the most localized bosonic modes. At lower temperatures, an extended pairing eigenstate appears, but its transition scale and spatial structure remain strongly affected by mesoscopic correlation effects and enhanced probability of returns to favorable regions of the localized bosonic glue. The resulting distribution of local pairing scales has a power-law tail, in contrast to the stretched-exponential tails of disordered BCS superconductors. This mechanism provides a route to broad gap inhomogeneity and superconducting puddles in quantum-critical metals, and offers an interpretation of STM measurements of the cuprates.
Quantum geometry is instrumental in stabilizing exotic phenomena in systems ranging from topological insulators to superconductors. In dispersionless flat bands, where the kinetic energy is quenched, the quantum metric emerges as the fundamental driver of macroscopic collective phenomena. Here, we theoretically demonstrate that lattice-geometry-induced flat bands, such as those in kagome and Lieb lattices, provide a fertile platform for realizing a purely quantum-geometry-driven excitonic insulator (EI) phase. By applying an out-of-plane Zeeman field to lift spin degeneracy without spin-orbit coupling, we establish a Ginzburg-Landau framework in which the electron-hole wavefunction-overlap directly maps the flat-band quantum metric onto the macroscopic free energy. This mapping plays a key role in both the EI and the associated superfluid phases, with the coherence length and phase stiffness emerging directly from the quantum metric. Our analysis reveals that under strong interactions, the quantum metric induces a negative effective kinetic coefficient for the amplitude mode. Rather than destabilizing the uniform condensate, this softens the amplitude fluctuations at a finite momentum, giving rise to a finite-momentum superfluid density fluctuation (FMSDF) state. This state is observable as a periodically modulated magnitude of in-plane magnetization fluctuations. Our findings establish a rigorous link between flat-band quantum geometry and dynamic collective excitonic states, with promising pathways for realization in covalent-organic frameworks (COFs).
Extended domain-wall networks emerging in moiré materials provide a distinct platform for quasi-one-dimensional electronic states. However, the interaction-driven orders in confined networks remain largely unexplored. Here, we discuss superconducting (SC) correlations in interacting helical domain-wall-ring networks that emerge in the closed topological domains formed within the moiré patterns of an underlying twisted bilayer honeycomb lattice. We first analyze the system within the framework of an infinite-size theory and show that inter-ring SC-pair tunneling is renormalization-group relevant and thus enhances SC correlations through inter-ring phase locking. To address finite-size effects resulting from the ring-network geometry, we present a self-consistent variational approach. Our analysis shows that even in the regime where the infinite-size theory predicts strongly-coupled pair tunneling, the induced phase-locking scale remains strongly suppressed. In contrast, the SC scaling dimension continues to decrease with decreasing twist angle and remains insensitive to the pair-tunneling strength, revealing a qualitative mismatch from the infinite-size expectation. This discrepancy demonstrates that ring networks do not simply approach their infinite-size counterparts but can exhibit qualitatively distinct collective behavior. Our study highlights how the interplay of confinement effects and ring-network geometry can reshape SC correlations.
Powder x-ray diffraction (PXRD) under laser-driven dynamic compression is a powerful tool to investigate material response to extreme pressure, temperature and strain rates. Robust PXRD platforms have been developed at kJ and MJ laser facilities worldwide including the Powder X-Ray Diffraction Image Plate (PXRDIP) at the Omega Laser Facility at the Laboratory for Laser Energetics (LLE) and the TARget Diffraction In Situ (TARDIS) at the National Ignition Facility (NIF). Here we present further developments of data analysis methods focused towards improving the fidelity of the PXRD intensity determination for these platforms. We illustrate these methods by discussing how they can be implemented in a data analysis package and applied to shock compression data on diamond near 1 TPa. We discuss using the XRD signal from the collimating pinhole or a layer of un-compressed material in the sample package as \textit{ in-situ} references for XRD intensity. We detail how to compare data collected with different x-ray sources and how to account for thermal damping of XRD signal when comparing XRD from a shock-compressed, hot material with the reference material at ambient.
Single-molecule or single-particle tracking measurements inherently yield noisy microscopic trajectories, often significantly constrained by the diffraction limit and by the finite rate at which photons are emitted and counted. Here we study systematically the resulting effects of finite spatial and temporal resolution on one's ability to discern and quantify the arrow of time in microscopic trajectories. Given an experimental time series Y(t) degraded by noise, we consider the problem of estimating the entropy production associated with the corresponding microscopic variable X(t) using two strategies. The first attempts to infer the statistical properties of X(t) from those of Y(t) before estimating the entropy production. The second uses the experimental observable as a proxy for the true microscopic observable, with the entropy production estimator applied directly to Y(t). We prove that both strategies result in lower bounds on the true entropy production. Importantly, noise-degraded observables Y(t) undergo non-Markovian dynamics even when X(t) are Markovian, and non-Markovian entropy production estimators are advantageous. We further note nontrivial interplay between spatial and temporal resolution: in the presence of detection noise, improving the temporal resolution alone may lead to poorer rather than better entropy production estimates.
Polycrystals consist of grains of local crystalline order separated by grain boundaries. Their structure is not hyperuniform, even though perfect crystals are, because polycrystals consist of randomly sized and oriented grains that generate appreciable long-wavelength density fluctuations. In this paper, we use a collective-coordinate optimization procedure to generate two-dimensional polycrystalline packings composed of identical disks arranged in a pattern that is ultradense, stealthy, and hyperuniform (hereafter named SHU). We compare them with polycrystalline disk packings obtained via a modified Lubachevsky--Stillinger rapid compression algorithm (hereafter named LS), a molecular dynamics protocol that serves as a standard reference model describing realistic, nonhyperuniform polycrystalline microstructures. We carry out an extensive comparison of polycrystalline SHU and LS packings that includes differences in two-point statistics, grain size, specific surface area, diffusion spreadability, and optical response as quantified by the imaginary part of the effective dynamic dielectric constant. We find that the polycrystalline SHU packings exhibit a distinctive grain-size distribution, a consequence of long-range correlations between different grains that is absent in the nonhyperuniform case. Within the nonlocal strong-contrast expansion, we confirm that polycrystalline SHU packings made of dielectric material are perfectly transparent to electromagnetic waves at small wave vectors, in contrast to LS packings. Moreover, polycrystalline SHU packings offer enhanced diffusion spreadability. Although polycrystalline SHU packings are not expected to form spontaneously in nature, they may be created for applications as metamaterials via nanolithography or 3D printing that take advantage of their distinctive optical and transport properties.
Reentrant superconductivity has been understood primarily in terms of the Jaccarino-Peter field-compensation effect or from a change of the strength in the pairing interaction. However, neither mechanism appears able to entirely explain the remarkable phase diagram of UTe$_2$. Here we propose a generic theory of the field-enhancement of opposite-spin Cooper pairings which does not necessitate the coexistence of magnetism or the vicinity of a magnetic quantum critical point. Our analytical treatment shows that the reentrance has its origin in the interplay of the sublattice degrees of freedom and spin-orbit coupling, which can can strikingly enhance opposite-spin Cooper pairings at strong Zeeman fields. Based on these results, we show that a pairing state with B$_{3u}$ symmetry can reproduce the highly anisotropic phase diagram of the reentrant superconducting state of UTe$_2$.
This work addresses the problem of identifying colloidal monolayer assemblies using particles of various shapes (two-dimensional coatings): spheres, ellipsoids, cuboids, and rods. The following classification of assemblies is considered: isolated particles, dimers, chains, clusters, and loops. The YOLO model was chosen as the identification method. Synthetic datasets were prepared for each of the four particle shapes to train the models. The paper discusses the application of models trained on synthetic data to experimental images. An analysis was carried out on the feasibility of using such models for recognizing configurations in real images. While recognition on artificial images is nearly perfect, tests on experimental images showed a significant deviation. The average error across all particle types was 43.1%, but a considerable spread in values is observed: from 20% for spheres to 58.5% for cuboids, indicating the algorithm's selective sensitivity to object geometry. The created datasets and trained models are freely available for use. The corresponding modules have been integrated into the previously developed information system (this https URL). To further improve prediction results, it is necessary to prepare datasets based on experimental images.
Many complex systems, including ecosystems, neural circuits, and financial markets, are inferred to operate close to a threshold of instability, at which a small perturbation can propagate across the entire system. This proximity is often interpreted as functionally advantageous, yet it poses a question common to all these fields: from a finite, noisy recording, how precisely can the distance of a system from that threshold be estimated? Using the multivariate Ornstein-Uhlenbeck process as the canonical linear model of relaxation near a stable fixed point, we show that the attainable precision is governed by three factors: an effective measurement budget, set by the number of samples relative to the system dimension and the sampling interval; the signal-to-noise ratio, given by the magnitude of deterministic interactions relative to stochastic forcing; and the distance to criticality, which simultaneously sets the system's correlation times and degrades both of the preceding factors. As the slowest dynamical mode softens near the threshold, the curvature of the log-likelihood flattens along the direction that determines stability, so that the relative uncertainty on the estimated distance diverges as that distance vanishes. Critically, temporal correlations near instability reduce the effective number of independent observations far below the nominal sample count, and inference breaks down when this effective count falls below the system dimension, even when the raw data volume appears sufficient. A direct consequence is the existence of an optimal sampling interval that diverges as the system approaches criticality, with practical implications for experimental design.
Real-time dynamics after a local quench by a charged operator encodes the response functions measured in spectroscopic experiments, yet they have long posed a challenge for variational Monte Carlo calculations. The obstacle is a support mismatch: the projective action by a charged local operator forces an exponentially large number of configurations to vanish, but these configurations may still contribute to the dynamics, biasing the estimators and freezing the evolution at the very first step. This difficulty is an artifact of the chosen sampling basis, and the support mismatch generated by a charged local operator is itself local. We demonstrate that the missing support can be restored by a local rotation of the sampling basis, without changing the underlying variational dynamics. We propose a local basis-rotation sampling scheme that resolves the support-mismatch problem and can be readily incorporated into existing variational Monte Carlo algorithms. Benchmarks show that rotation sampling accurately captures long-time quantum dynamics, enabling variational Monte Carlo calculations of dynamical structure factors in one dimension and unbiased local-operator quench dynamics in two dimensions. We also show that this resolution of the support-mismatch problem extends beyond real-time dynamics, and may also be helpful for ground state variational Monte Carlo calculations.
Demographic noise generates stochastic Turing patterns even when reaction-diffusion systems are deterministically stable. We show analytically and verify numerically in the Levin-Segel model that temporal integration of configurations reveals emergent large-scale organization. The intensive number variance in a window of size $R \gg 1$ approaches a finite reaction-kinetic floor as $1/R$, over a spatial range growing by orders of magnitude near the Turing instability. This yields an effectively hyperuniform, fine-tuning-free regime previously unidentified in non-conserved multispecies stochastic systems.
Andreev reflection converts an incoming fermion into an outgoing hole and is usually tied to a superconducting interface. We show that an analogous charge-conjugating boundary condition emerges from a purely lattice duality defect. Starting from a Majorana representation of the transverse-field Ising chain, we construct a folded lattice model in which a boundary Majorana impurity implements a one-site translation of a staggered Majorana chain. In the continuum, this translation becomes a chiral fermion-parity defect: it flips the sign of the only left-moving Majorana mode while leaving the right-moving mode unchanged. When the two Majorana modes are recombined into a complex fermion in the folded geometry, this sign flip becomes the Andreev-like boundary condition. Our lattice formulation gives a microscopic interpretation of the Emery--Kivelson boundary of the two-channel Kondo problem and of Maldacena--Ludwig monopole scattering, while identifying the boundary as the interface between a Kitaev-chain SPT phase and a gapless chain. The same Majorana translation defect also provides a lattice realization of an axial $U(1)_A$-symmetric charge-flip boundary.
We consider the class of Hopfield models of associative memory with activation function $F$ and state space $\{-1,1\}^N$, where each vertex of the cube describes a configuration of $N$ binary neurons. $M$ randomly chosen configurations, called patterns, are stored using an energy function designed to make them local minima. If they are, which is known to depend on how $M$ scales with $N$, then they can be retrieved using a dynamics that decreases the energy. However, storing the patterns in the energy function also creates unintended local minima, and thus false memories. Although this has been known since the earliest work on the subject, it has only been supported by numerical simulations and non-rigorous calculations, except in elementary cases. Our results are twofold. For a generic function $F$, we explicitly construct a set of configurations, called mixed memories, whose properties are intended to characterise the local minima of the energy function. For three prominent models, namely the classical, the dense and the modern Hopfield models, obtained for quadratic, polynomial and exponential functions $F$ respectively, we give conditions on the growth rate of $M$ which guarantee that, as $N$ diverges, mixed memories are fixed points of the retrieval dynamics and thus exact minima of the energy. We conjecture that in this regime, all local minima are mixed memories.
Electoral redistricting in Ireland's Proportional Representation Single Transferable Vote (PR-STV) system faces the challenge of selecting an optimally representative set of electoral boundaries from an enormous set of possible configurations, and where ``representative'' is a delicate balance of constitutional objectives that are often in tension with one another. We present the first computational framework for Irish electoral redistricting that systematically optimises across multiple constitutional requirements while making trade-offs explicit and quantifiable. The electoral redistricting problem is parsed using statistical physics, where constitutional objectives are considered as terms in a Potts Hamiltonian. Markov Chain Monte Carlo (MCMC) methods and simulated annealing are employed to minimise this objective function, systematically exploring this configuration space, with coupling constants as proxies for objective weightings. Multi Criterion Decision Analysis (MCDA) and Pareto Optimality is then utilised to remedy the ambiguity in choosing a certain objective weighting combination over others. With respect to proportional representation and compactness objectives evaluated in County Cork, COTHROM consistently improves on the existing legal constituency boundaries for a range of objective weightings.
Chitosan-based nanomaterials are being increasingly explored as sustainable alternatives to petroleum-derived food packaging, yet their environmental performance across the full life cycle remains insufficiently understood. This review critically evaluates these systems from a life cycle perspective and examines how material origin, processing pathways, functional performance, and end-of-life behavior collectively influence sustainability outcomes. Beginning with chitin extraction from crustacean waste, key processing steps, including demineralization, deproteinization, and nanoparticle synthesis, are assessed in terms of chemical intensity, energy demand, and associated emissions. Manufacturing routes, including solvent-based and green synthesis approaches, are compared with those of conventional plastics to identify relative environmental burdens. The use phase is analyzed with respect to antimicrobial functionality, shelf life extension, and potential reductions in food waste. End-of-life pathways, including biodegradation and composting, are evaluated alongside uncertainties related to degradation behavior and nanoparticle fate. By synthesizing these stagewise interactions, this review highlights critical trade-offs that are often overlooked in sustainability narratives and examines whether chitosan-based nanomaterials provide net environmental benefits in food packaging applications.
Quantum chemistry simulations underpin modern materials discovery, yet their impact is limited by steep computational cost and dependence on fixed approximation schemes. Foundation models, such as machine-learned interatomic potentials, have accelerated parts of this workflow, but their reliance on large-scale pretraining restricts adaptability at the frontier of chemical space, where methodological innovation and sparse data are the norm. Agentic AI systems can automate existing simulation pipelines, yet they remain constrained by the predefined tools and algorithms they orchestrate. In response, we introduce LADeQ, an LLM-guided workflow that discovers, implements, and benchmarks candidate approximation algorithms at test-time within existing quantum chemistry codes. Rather than selecting from a predefined repertoire, LADeQ constructs candidate approximation schemes on demand, drawing on techniques from disciplines such as spatial statistics, circuit simulation, and kernel methods that have had little prior presence in electronic-structure theory. Because it builds on an out-of-the-box language model, LADeQ requires no task-specific pretraining or curated data, and the resulting implementations are transparent and inspectable, with explicitly traceable approximation errors that enable principled control of accuracy--efficiency trade-offs. We show that LADeQ accelerates coupled cluster singles and doubles (CCSD) and configuration interaction singles and doubles (CISD) calculations while keeping correlation-energy errors within user-specified tolerances, demonstrating autonomous, objective-driven discovery of approximation algorithms inside existing electronic-structure solvers.
Motivated by the role of the holographic entropy cone in constraining the entanglement structure of states with classical gravitational duals, we investigate combinations of subsystem complexities associated with reduced density matrices in multipartite quantum systems. Focusing on subsystems composed of three disjoint regions, we introduce two quantities: a tripartite complexity, inspired by the tripartite information, and a complexity gap, designed to characterize emergent complexity in the full quantum state beyond that of its constituents. We study the sign structure of these quantities in three selected approaches to subsystem complexity. In holography, we employ the complexity=volume proposal in AdS spacetimes; for Gaussian many-body states, we use Fisher-Rao subsystem complexity; and we further develop a Krylov-space inspired, effective framework for reduced density matrices, which we test in few-qubit systems and coherent-state dynamics. Across all three approaches, we find that the tripartite complexity is not sign-definite in general. By contrast, the complexity gap exhibits a definite sign in every example we analyze, although the sign itself depends on the underlying notion of subsystem complexity. Our results suggest that the complexity gap could be a natural candidate building block for a prospective hierarchy of subsystem complexity inequalities.
Motivated by the surge of interest in statistics of non-Hermitian random matrices as a framework for description of universal characteristics of dissipative chaotic quantum many-body systems, we address the problem of characterizing the parametric correlations of spectral densities. Considering parameter-dependent ensemble of complex Ginibre matrices we derive an explicit, closed-form expression for the parametric number covariance in the systems of symmetry class $\mathbf{A}$ for eigenvalues in a circular domain containing on average a finite number of eigenvalues in the spectral bulk. This behavior is expected to be universal, as further supported by numerical evidence for the real Ginibre ensemble, non-Hermitian Bernoulli Wigner matrices and bi-unitarily invariant ensembles. We also discuss a relation between parametric correlations of spectral densities and the distribution of the so-called eigenvector non-orthogonality factor, which attracted considerable interest in recent years.
Strong coupling between molecules and electromagnetic fields has emerged as a powerful strategy to modify the physical and chemical properties of molecules, enabled by the formation of hybridized energy levels through strong light-matter interactions. Rather than purely photonic or plasmonic modes, hybrid cavity fields that integrate plasmonic and photonic contributions provide versatile platforms with distinct advantages for tailoring light-matter interactions. Here, we present hybrid modes formed through the coupling between localized surface plasmon resonances of Au nanoparticles and Fabry-Perot microcavity modes. Furthermore, by using this hybrid platform, we demonstrate that the cavity field can give rise to cooperative coherent coupling between the spatially separated plasmonic nanoparticles and the molecules by mediating long-range dipole-dipole interactions. As we show, this cavity-mediated coupling also enhances the plasmon-exciton mixing, as compared to their direct interaction. This configuration opens new avenues for tailoring light-matter interactions at the nanoscale by supporting novel hybrid plexcitonic states that incorporate contributions from plasmons, excitons, and extended cavity fields.
The Mpemba effect is commonly associated with anomalous thermal relaxation, in which a system prepared at a higher temperature reaches equilibrium faster than one prepared at a lower temperature. In modern formulations, however, its defining feature is broader: a state initially farther from equilibrium can relax faster than a closer one, or, equivalently, relaxation trajectories can cross. Here, we show that magnetic-field-dependent delayed fluorescence in triplet-fusion systems realizes a generalized Mpemba effect driven by external control of spin-selective kinetics. Using a diffusion-controlled geminate-recombination extension of the Johnson--Merrifield model, we demonstrate that delayed-fluorescence trajectories obtained at different magnetic fields cross when geminate fusion is effective. We further derive a compact kinetic criterion for such crossing in terms of the competition between intermediate-time decay rates and long-time power-law amplitudes. This criterion captures the interplay between effective fast and slow relaxation contributions. Within this kinetic framework, the final state is independent of the external control parameter and is defined as the fully relaxed state in which no separated triplet population remains. The generalized Mpemba effect therefore arises from the redistribution of transient relaxation pathways associated with geminate recombination, whereas bulk diffusion-controlled processes contribute only to the final relaxation. These results link anomalous relaxation in spin-dependent photokinetics to modern formulations of the generalized Mpemba effect and show how trajectory crossing can emerge in systems governed by diffusion-controlled geminate recombination and non-Markovian kinetics.
Topology has become a central concept in understanding physical phenomena, leading to important advances in condensed matter and photonics. Recent work has established a universal upper bound on the energy gap of Chern insulators in electronic systems, revealing a fundamental connection between topology, quantum geometry, and optical absorption. Here, we generalize this framework to photonic systems, deriving rigorous upper bounds on gap Chern numbers without requiring explicit topological analysis. Our approach enables the estimation of the topological charge of band gaps in both dispersive and nondispersive regimes.
Can synchronization -- the widespread spontaneous emergence of coordinated dynamics in classical nonlinear systems -- also occur in the quantum regime? This question has recently sparked intense research into collective behavior and temporal self-organization in quantum systems. Typical quantum features such as the linearity of time evolution and the presence of quantum noise seem to hinder the appearance of synchrony at the microscopic level. At the same time, quantum coherence and quantum correlations may provide novel mechanisms for enhancing synchronization beyond its classical counterpart. We here survey recent theoretical and experimental advances in quantum synchronization, ranging from the characterization of synchronous oscillations and genuinely nonclassical forms of synchrony to many-body synchronization on quantum networks.
We investigate the ground-state phase diagram of a frustrated spin-1/2 Heisenberg ladder in the transverse magnetic field with an anisotropic inter-rung exchange coupling $\alpha$. This bond-anisotropic parameter continuously interpolates among the Ising-like limit $\alpha=0$, the isotropic point $\alpha=1$, and the XY-dominated regime $\alpha \gg 1$. Using density-matrix renormalization group calculations within a matrix-product-state framework, we analyze bipartite entanglement, magnetization, and spin correlations to characterize the emergent quantum phases. We identify six distinct ground-state phases, including rung-singlet, Haldane-like, Tomonaga-Luttinger liquid, canted Ising-ordered, XY-polarized, and ordered ferromagnetic states. While magnetization and local correlations provide a first insight into phase classifications, the finite-size scaling of the entanglement measures offers a more sensitive and unified diagnostics of both gapped and gapless regimes. In the gapless regime, we extract the central charge $c \simeq 1$, confirming Tomonaga-Luttinger liquid behavior, while at the transition between the canted Ising and ferromagnetic phases, we observe $c \simeq 1/2$, consistent with the Ising universality. Finally, we find that both the Haldane-like behavior and the extended critical Tomonaga-Luttinger liquid regime are strongly confined to the vicinity of the isotropic point $\alpha = 1$.
The computational discovery of phonon-mediated superconductors is hindered by the prohibitive cost of density functional perturbation theory (DFPT). Here, guided by the metallized $\sigma$-bonding picture, we introduce the $\sigma$-bonding density of states ($\sigma$DOS) as an efficient physical descriptor to identify high-transition-temperature ($T_{\mathrm{c}}$) superconductors from density functional theory (DFT)-level electronic structure without explicit DFPT calculations. The evaluation of $\sigma$DOS can be further accelerated by a deep-learning DFT Hamiltonian method, enabling efficient large-scale screening for superconductors. Screening 2 million materials, we identify B$_{13}$Se as an ambient-pressure superconductor candidate with predicted $T_{\mathrm{c}} > 40$~K, together with a family of high-$T_{\mathrm{c}}$ B$_{13}X$ candidates, supporting the effectiveness of this discovery strategy. By bridging physics priors with AI acceleration, this study delivers an efficient and generalizable route for computational materials discovery in the AI era.
Atomistic structure and natural language have long been modeled separately, with language models either calling atomistic models as tools or being fine-tuned on lossy textual encodings that discard atomistic information. We introduce Atomistic Language Models (ALMs) to pursue native multimodality, in which a single language backbone understands atomistic structures, generates materials from natural language, and optimizes crystal structures as instructed by text. By unifying a pretrained atomistic encoder, large language model, and denoising diffusion model through purely continuous projectors and staged training, ALMs achieve state-of-the-art results on crystal structure prediction and de novo generation. ALMs are enabled by a continuous bridge that maps language model embeddings directly into the steering space of atomistic diffusion, and are assisted by Text-to-Crystal Feynman-Kac (T2C-FK), a particle-based sampler that scores partial denoising trajectories to enforce stoichiometric targets at inference time. To evaluate the ability of ALMs to optimize and generate materials from natural-language prompts and 3D atom-coordinate inputs, we introduce ALM Bench, the first benchmark for text-conditioned crystal generation and optimization. Code, training data, and model weights will be released soon.
An efficient and robust FFT-based solver is proposed for diffusion-type problems with general Neumann and Dirichlet boundary conditions, based on a Chebyshev collocation framework. The method combines Chebyshev polynomial approximations with FFT-based operators to provide a matrix-free implementation of the discrete differential operator at the Chebyshev-Gauss-Lobatto points. The linear system of equations resulting from the Chebyshev discretization is solved using LGMRES. To overcome convergence problems on fine grids, a hierarchical refinement strategy based on modal prolongation is proposed, enabling the solution of very large 3D problems. The methodology is applicable to homogeneous and heterogeneous domains, as well as to linear and nonlinear constitutive equations. The accuracy of the proposed method is analyzed by solving the Poisson equation in homogeneous 1D and 3D domains with general boundary conditions, using manufactured analytical solutions as references. Convergence to the analytical solution is achieved in a few iterations, with smaller errors than those obtained using DCT/DST approaches. Discretizations of up to $256^3$ are achieved thanks to the hierarchical refinement strategy. In the case of heterogeneous domains, the accuracy and efficiency obtained are similar to those of a standard periodic FFT approach. It is found that the computational complexity of the method preserves the FFT scaling, of order $n\log n$, in all the cases studied.
We investigate the non-equilibrium work statistics originating from a sudden quench in a bosonic Josephson junction. In particular, by employing the Holstein-Primakoff approximation, the work statistics are analytically characterized in the weak-interaction regime, where the dynamics map onto a time-dependent quantum harmonic oscillator. For a junction initialized in the ground state of the pre-quench Hamiltonian, we demonstrate that the work statistics are governed by a negative binomial distribution, as occurs in fully-connected models driven across a critical point. Furthermore, we also consider initial superposition states containing quantum coherences in the energy basis. To characterize the corresponding work distributions, we employ Kirkwood-Dirac quasiprobabilities (KDQ). Even in the simplest case, when the junction is initialized in a superposition of the ground and second excited states, the KDQ distribution of work exhibits negative or complex values, reflecting non-classical features. Moreover, the coherence content of the initial state can be optimized to enhance the extractable work extracted from the quench, beyond classical bounds. Finally, we propose an experimental interferometric protocol to directly measure the characteristic function of the work distribution in experimentally accessible settings.
Water confined within nanoscale capillaries exhibits phase behaviour and transport properties that differ substantially from bulk, and these effects are commonly interpreted as consequences of geometric confinement and reduced dimensionality. Here we show that confinement topology alone is insufficient to predict the behaviour of nanoconfined water. Using machine learning interatomic potentials with first-principles accuracy, we compute the density-temperature phase diagram of water confined within bilayer graphene nanocapillaries and compare AA and AB stacking arrangements, which differ only by a lateral shift of 1.4 Å. Despite this minimal structural change, AA stacking can stabilise different ice polymorphs, can increase the melting temperature by more than 100 K, can enhance proton transfer, and alters the onset of superionic behaviour relative to AB stacking. We trace these effects to stacking-induced changes in the hydrogen-bond network associated with modifications to the lateral free energy landscape and neighbouring O-O separations. Our results demonstrate that even subtle atomistic variations in the confining walls can qualitatively reshape the physical and chemical behaviour of nanoconfined water, with implications for the interpretation and control of fluids under angstrom-scale confinement.
Altermagnets host momentum-dependent spin splitting without net magnetization, a symmetry-enforced band phenomenon whose photonic analogues have so far been realized only in square lattices governed by fourfold rotation. Here we introduce a photonic altermagnet on a hexagonal lattice whose helicity splitting is governed by mirror rather than rotational symmetry. Elliptical chiral elements of alternating handedness, placed at the vertices of a regular hexagon, leave the two opposite-chirality sublattices connected only by chirality reversal combined with a mirror reflection. Full-wave simulations reveal mirror-related splitting of the two opposite-helicity branches in the band structure and isofrequency contours, with the channels exchanged when the ellipse orientation is reversed. In finite structures, this splitting separates a linearly polarized beam into handedness-resolved channels, enabling beam splitting and direction-selective helicity filtering with target-helicity output fractions above 0.85 and output paths continuously tunable through the ellipse rotation angle. These results extend photonic altermagnetism to a previously unexplored lattice-symmetry class and establish mirror-symmetric chiral textures as building blocks for altermagnetism-inspired chiral photonics.
The viscoelastic instability of cross-slot flow was first observed experimentally almost half a century ago and reproduced numerically two decades ago, yet its physical origin remains unresolved. We revisit this problem for two-dimensional creeping flow of Oldroyd-B fluid by combining direct numerical simulations, global stability analysis, structural sensitivity analysis, and energy-budget analysis. Our simulations reproduce the canonical pitchfork bifurcation, and the stability analysis consistently predicts the threshold and perturbation growth rates. The leading eigenmode consists of a chiral velocity--stress perturbation that tilts and rotates the birefringent strand generated by the extensional flow. Structural sensitivity and energy-budget analyses identify narrow high-extension-rate ridges within the extensional flow as both the spatial core and energetic source of the instability. In these ridges, the stress-based wavemaker co-localizes with large positive disturbance polymeric stress power density, indicating localized transfer of stored elastic energy to the disturbance flow. Analyses of cross-slot variants with rounded corners and with a centered cylinder further reveal that neither sharp corners nor a free central stagnation point is the essential destabilizing ingredient; rather, the instability originates from elastic-energy release in extension-dominated regions characteristic of cross-slot flow.
We investigate the intensity stability of the superradiant laser. Our study focuses on the architecture where a continuous beam of atoms in an electronically excited state crosses the mode of a high-finesse Fabry-Perot cavity, which has been proposed as a new architecture of an active optical clock. We show that such superradiant laser can become unstable and develop chaotic behavior. We derive an analytical criterion for this instability and find that it may only occur when the lifetime of photons in the cavity is significantly shorter than the lifetime of atoms. This criterion allows for refining the necessary parameters to run a superradiant laser as a frequency reference in the optical domain. In particular, we point-out the consequences of the instability on intensity fluctuations and laser linewidth. On the other hand, we also point out that the superradiant laser, when in the unstable regime, can become an interesting playground for studying chaos. At the mean-field level, there is a direct mapping to the Bénard instability associated with fluid turbulence; however quantum fluctuations associated with photon out-coupling and atom re-filling substantially modify the expected behaviors. Finally, we point-out the existence of a regular self-pulsing regime at large atom numbers.
Using the path-integral formalism, we develop an accurate and easy-to-compute semi-analytical approximation for a general class of {default intensity} models. We illustrate the accuracy of the method by presenting results for the Black-Karasinski model for which the proposed approximation provides remarkably accurate results, even in regimes of high volatility and multi-year time horizons. The accuracy and the computational efficiency of the proposed approximation makes it a viable alternative to fully numerical schemes for a variety of applications in econometrics and derivatives pricing, including the computation of XVA for credit products. As a practical example, we consider the pricing of a quanto Credit Default Swap (CDS) under stochastic intensity of default and an FX devaluation model.
Many-body quantum quenches are typically associated with heating. In this work, we show that quantum quenches that perform positive work on the system can still lead to effective cooling of low-energy degrees of freedom if the quench energy is deposited in long-lived high-energy excitations. We discuss this explicitly for a quench of the hopping term t in the strong-coupling (U >> t) fermionic Hubbard model at half filling, where the quench induces a very long-lived non-equilibrium doublon density. The associated prethermal state persists for a time exponentially large in (U/t)^2. During this time window, we find an effective prethermal temperature that is reduced by the square of the ratio of final to initial hopping amplitude with respect to the initial temperature. This manifests as an effective fluctuation-dissipation relation that holds for doublon-number conserving operators. In a practical implementation the Hubbard system acts as a refrigerant to cool a target system provided the coupling conserves doublon number. Our protocol can be thought of as a quantum quench many-body generalization of adiabatic demagnetization.
We revisit the closed-form models of Seebeck coefficient, and identify the thermodynamic flaws in those extensively-used methodologies, essentially including the confusion of electrochemical potential and electrical potential within the definition, arbitrarily neglecting the dependence on conduction band bottom and Fermi level when calculating distribution function spatial gradient, and the improper heat flux presentation. Here, an alternative methodology is presented, which derives the Seebeck coefficient model based on the drift-diffusion equation with the Soret effect in the open circuit condition. The reversible model that eliminates the electron velocity and relaxation terms in the formulation is recovered for the band term in the near-equilibrium case, and it can give the lower bound of Seebeck coefficient in theory, while the phonon-drag term is of the identical form to the Boltzmann transport equation(BTE)-based one. A case study is performed for highly-n-doped Silicon, where the reversible, ballistic(based on Landauer formulation) and BTE models are compared with each other and with the experimental data. The reversible model gives the fairly-good predictions for the experiments. Given its theoretical-soundness, simple form and low computation cost, the reversible model can serve as a concise alternative for evaluating thermoelectric properties in both the reversible and near-equilibrium cases.
We calculate the impedance of a flat-plate electric double-layer (EDL) capacitor by means of Finite Element Method simulations of modified Poisson--Nernst--Planck equations. In Nyquist representation, the impedance spectra show a slanted line at intermediate frequencies if the capacitor is biased by a voltage, $U_\mathrm{bias}\neq 0$, or if the cation and anion diffusion coefficients differ, $D_-\neq D_+$. By inspecting the concentration perturbations in the relevant frequency range, we confirm that the slanted line is in both cases related to ambipolar salt diffusion. On the basis of our impedance data, we disprove two previously made claims: 1) that the width $R_\mathrm{sl}$ of the slanted-line region represents an EDL resistance; and 2) that the slope $k_\mathrm{sl}$ of the slanted line is a measure of the ratio of the diffusion and charging time scales, $\tau_\mathrm{diff}/\tau_\mathrm{c}$. For the quantitative analysis of flat-electrode EDL capacitor impedance, we propose instead two equivalent circuits, for the cases $D_-\neq D_+$ and $U_\mathrm{bias}\neq 0$. These two cases give rise to antisymmetric and symmetric salt perturbations, which are best described by a Warburg short and Warburg open element, respectively. From our circuit analysis, we obtain quantitative relations that link the Warburg prefactors to the ambipolar diffusion coefficient, the chemical capacitance of the bulk electrolyte, and the differential charge efficiency of the EDLs. We thus provide a theoretical framework that explains why the width of the slanted line saturates at large biases, why it vanishes for large ion packing fractions, and how the system's overall capacitance is limited by the finite amount of ions in a closed system.
Discovering the fundamental dynamical rules that generate the main statistical features of human mobility is essential for understanding the mechanisms underlying such processes. A prominent example is the exploration and preferential return model and its generalizations, which successfully reproduce several empirical findings. Here, we exploit another observation: the endpoint distances of a trip from the trajectory's starting point are strongly correlated. We consider a movement process in which each user performs a sequence of trips to satisfy a set of demands, given a spatial distribution of suppliers on a two-dimensional lattice. In each trip, destinations are chosen with a probability that depends on the ratio of the initial and final distances from the user's origin (home). We show that even a single agent with uniformly distributed demands and suppliers qualitatively reproduces key empirical statistics, such as the power-law distribution of traveled distances. The results are also robust to introducing interactions between agents via queues and incorporating more realistic demand and supplier distributions.
Several studies have considered sandpile dynamics not over regular grids, but over networks. In this case, avalanches redistribute grains not between neighboring sites in a geometrical sense, but between connected sites, in a topological sense. However, depending on how nodes are connected, grains may never leave the system, preventing energy release. In this work, we study the simplest case, the BTW model in one and two dimensions, rewiring the nodes so that at every rewiring step, the energy release is always possible, and study avalanche statistics as a function of rewiring. In the 1D case, a transition is observed in the Gini coefficient of the load distribution per node at about 85% the number of possible rewirings, a transition which is not evident with other measures, such as the size distribution of avalanches or the mean distance between nodes in the network. In the 2D case, energy release follows a power law even when the grid is fully rewired, while the Gini coefficient, unlike the 1D case, decreases at a steady rate, with a smoother transition. The effect of network size N is studied, finding that there is a transition for the Gini coefficient at the thermodynamic limit N \to \infty for both the 1D and 2D cases, transition which is also observed in the betweenness centrality, but not in other topological measures. Finally, the dependence of the results with the load per rewiring iteration, and the avalanche threshold is studied.
We study transient information partition in a coherent exciton-phonon-photon system using subsystem-resolved quantum mutual information (QMI). By employing a model with excitonic, phononic, and photonic degrees of freedom, we analyze the dynamics in the $J$-$\nu$ plane, where $J$ characterizes excitonic delocalization and $\nu$ denotes the exciton-phonon coupling strength. By comparing time-averaged QMI maps with the absorbed photon number, we show that optical activity alone does not determine the character of the light-induced transient state. The exciton-centered information partition identifies a broad crossover between polariton-like and polaron-like transient responses, depending on whether excitonic information is mainly shared with the photon or phonon subsystem. In contrast, the phonon-centered partition reveals a sharper boundary-adjacent redistribution ridge near the boundary between the zero- and one-exciton ground-state sectors. This ridge is absent from both the ground-state sector map and the photon-absorption map, indicating that it is neither a static sector boundary nor an enhancement of optical absorption. A variational strength-function analysis connects the ridge to a region-II-like finite-energy polaronic excitation whose dominant spectral weight lies near the one-phonon energy, and thus the ridge represents a hidden transient correlation structure in which a limited amount of phonon-related information is preferentially shared with the photon subsystem before being predominantly allocated to exciton-phonon dressing. These results show that QMI-based information partition provides a correlation-based framework for characterizing coherent light-induced transient states in which optical and material degrees of freedom jointly participate quantum mechanically.
The performance of advanced materials for extreme environments is underpinned by their microstructure, including the size and distribution of reinforcing phases. Chromium-based superalloys are a recently proposed alternative to conventional face-centred-cubic superalloys for high-temperature applications, such as Concentrated Solar Power, and their development requires efficient measurement of precipitate volume fraction and size distribution from electron microscopy images. Traditional fixed-threshold image processing is sensitive to background noise, generalises poorly across materials, and requires substantial manual measurement effort. To address these bottlenecks, this study proposes DT-SegNet, an end-to-end two-stage deep learning scheme based on YOLOv5 and SegFormer for object detection and segmentation in electron microscopy images. The approach combines the training efficiency of convolutional neural networks at the detection stage with the segmentation accuracy of a Vision Transformer. Numerical experiments show that DT-SegNet substantially outperforms state-of-the-art segmentation tools offered by Weka and ilastik across metrics including accuracy, precision, recall, and F1-score. The model provides a useful tool for alloy-development microstructure examinations and helps address the large datasets associated with high-throughput alloy development.
This paper presents a complete two-dimensional theoretical model for the electromagnetic behavior of square-section solid magnetic bars under sinusoidal loading. Through the application of Maxwell's equations within a Cartesian coordinate system and the integration of complex permeability, exact mathematical expressions are derived for mutual impedance, internal magnetic fields, flux, and core losses. Hyperbolic functions are utilized to separate the variables, enabling the accurate representation of edge flux accumulation and the 2D skin effect. In addition to mathematically decoupling eddy current and hysteresis losses, this formulation yields a new apparent permeability parameter. This parameter establishes a fast, reliable method for magnetic steel characterization that bypasses the extensive processing times associated with Finite Element Analysis (FEA). Numerical results over 1 Hz-1 MHz show the apparent relative permeability decreasing from 500 to 300 and a characteristic resistance peak near 700 kHz, marking the transition from volumetric to surface-dominated loss regimes.
As quantum computers remain susceptible to noise, QEC is essential for preserving logical information during computations. However, the performance of QEC codes breaks down beyond certain noise thresholds, revealing fundamental limits on their ability to protect quantum information. These limits can be characterized using information-theoretic measures such as the coherent information, which quantifies the maximum rate at which logical information can be reliably transmitted through a noisy quantum channel. In this work, we establish a direct connection between the CI and the binary cross-entropy loss used when training neural network decoders. Specifically, we show that the CI constitutes a sharp lower bound on the achievable loss for decoders that track logical operators across noisy channels. To this end, we develop a transformer-based neural network model based on maximum likelihood decoding. We train this network to estimate the CI and evaluate its performance on the surface code under three noise models: code capacity, phenomenological, and circuit-level noise. Our results demonstrate that the network accurately predicts CI and yields threshold estimates that closely match known theoretical limits. When used as a decoder, the network significantly outperforms the minimum weight perfect matching decoder in terms of logical error rate. We also introduce a novel soft post-selection scheme that independently treats uncertainty in both logical operators and relies on confidence-based filtering of the network's output. We prove that such post-selection strategies, based on the MLD cosets, are optimal, and demonstrate their scalability in terms of both logical error rate and abort probability. These findings establish transformer-based architectures as powerful tools for QEC and provide the first numerical evidence supporting the optimality and scalability of MLD-based post-selection.
The present research presents potentials and complementary potentials used in the one-dimensional nonlocal integral formulations. The pure stress and the pure strain nonlocal formulations were considered. While the potential used in the strain driven formulation is well known, the complementary potential has not yet been presented in the literature. The same applies to the stress driven formulation. The equivalent formulations are obtained by resorting to the Legendre transformation, and their equivalence is proved. It is also shown that these results can be used to postulate a novel potential, i.e. a kind of mixed stress-strain potential, which is, however, as ill-conditioned as the pure strain-driven formulation. Finally, an example is given that practically confirms that the stress-driven formulations resulting from the potential and the complementary potential are equivalent.
IGR J17480-2446 is a low-mass X-ray binary, harboring an exceptional accreting pulsar (a neutron star) with an unusual spin frequency of 11 Hz and a very slow post-outburst crust cooling. The former may imply that it is observed at an early stage of recycling, while the latter was shown to indicate the presence in the outer crust of a low thermal conductivity layer, possibly made of glass. Here we argue that the glass layer formation is a natural result of accretion induced failure of pristine cold crystal crust. This allows us to determine the mass of the accreted material as $\Delta M \approx 2.4\times 10^{-6}~M_\odot$, confirming very early accretion stage for this neutron star. An analysis of spin and thermal state reveals a peculiar set of neutron star birth properties which is commonly associated with `recycled' neutron stars, i.e.\ those that have been experiencing prolonged periods of accretion from a companion. We speculate that such birth properties may represent the outcome of neutron star formation in an electron-capture supernova.
Techniques from glass art and fabrication provide a controllable physical platform for studying tissue mechanics in simple organisms. Here, we use glass-based physical models to investigate tissue deformation in the marine organism Trichoplax adhaerens. Previous studies have shown that the epithelial tissues in T. adhaerens undergo large deformations and form fracture holes under mechanical loading, exhibiting a ductile-to-brittle transition at fast loading rates. To model these behaviors in a tunable and experimentally accessible system, glass is shaped into tissue-like monolayers in a glass studio, heated to its specific process temperature, and subjected to controlled stretching. Rapid cooling arrests the deformed configurations, providing snapshots of tissue-like strain states under load. Under lateral and radial stretching, we quantify changes in the area and eccentricity of individual "cells" in the glass models, and found that eccentricity increases after stretching. We further use tensegrity-based models to quantify deformations in the cellular geometry of the glass tissues, enabling direct comparison between experiments and simulations. The model captures the principal experimental deformation patterns, but underestimates the magnitude of the observed eccentricity changes. Our results demonstrate that glass-based physical models provide an experimentally accessible platform for studying tissue-scale deformation and mechanical behavior, while supporting interdisciplinary approaches that connect methods in the arts and sciences.
Disordered stealthy hyperuniform materials combine liquid-like statistical isotropy with crystal-like homogeneity, suppressed density fluctuations at large length scales, bounded holes, and an isotropic structure factor that vanishes for a finite range of wavevectors. This combination yields unusual physical properties, including optical transparency, effective delocalization, ultrafast spreadability, optimal conductivity, and complete isotropic photonic bandgaps. Gyromorphs, point patterns whose structure factor includes rings of Bragg-like peaks arranged with discrete $G$-fold rotational symmetry, were recently introduced as counterexamples: disordered media that can somehow achieve the same physical properties, in some cases with higher performance, without stealthiness or hyperuniformity. In this paper, we resolve the puzzle of how gyromorphs fit consistently with the stealthy hyperuniform studies. We first show that gyromorphs are actually hyperuniform and, in the large-$G$ limit where they become nearly isotropic, belong to the weakest form of hyperuniformity, known as Class III. Thus, gyromorphs should have comparatively degraded physical properties compared to stealthy hyperuniform media, which belong to the strongest form of hyperuniformity, known as Class I. We verify this expectation using the rigorous spectral Green's matrix method for the calculation of the density of states (DOS) and Purcell factors in large arrays of electric dipoles. We find that gyromorphs display size-dependent pseudogaps richly populated by localized states rather than smooth band gaps like those found for highly stealthy hyperuniform materials or in deterministic structures such as Vogel spiral and triangular lattices. Furthermore, we predict similar disorder-induced degradation relative to stealthy hyperuniformity with regard to transparency, spreadability and diffusion properties.
Machine-learned interatomic potentials now enable efficient atomistic evaluation for interactive materials discovery, yet closed-loop crystal search methods remain fragmented across bespoke pipelines for editing, relaxation, scoring, constraints, and bookkeeping. We introduce SciVerseGym, a Gymnasium-compatible environment for sequential crystal discovery that frames crystal design as a Markov decision process. Agents observe an atomistic structure, apply chemically meaningful edits, and receive feedback from a configurable evaluator. SciVerseGym supports local and global actions, including elemental substitution, lattice perturbation, atomic displacement, vacancy creation, and atom insertion, along with configurable chemical spaces, structure pools, atomistic and graph-based observations, custom rewards, optional relaxation, and stability or phonon-related diagnostics. Each step applies an edit, evaluates the candidate using a machine-learned interatomic potential or any ASE-compatible calculator, and returns the standard (obs, reward, terminated, truncated, info) tuple. By decoupling agent logic from materials infrastructure, SciVerseGym provides an open, reproducible, and extensible testbed for reinforcement learning, Bayesian optimization, evolutionary search, and language-agent workflows in closed-loop crystal discovery. Code is available at: this https URL.
Geometric phase quantifies net locomotion in dissipative media via gauge theory, but linking this theoretical quantity to noisy, sparse, and weakly periodic biological shape data is challenging. We develop a theory-guided, data-driven Koopman autoencoder to recover the limit cycle embedded in imperfect cyclic data and extract shape gaits and geometric phase from sperm and nematode data. We introduce a geometric phase sensitivity function that quantifies responses to shape perturbations and reveals mechanical information using only gauge-theoretic structure, without assuming mechanical laws.
We consider processes of template-directed multistate copolymerization by molecular machines such as polymerases or ribosomes, having multiple states of conformation or activation. We show that the kinetic equations of these processes can be exactly solved for the mean growth velocity, the sequence probabilities of the grown copy, and the local probabilities and fractions of monomeric units in the copy. Asymptotically, in the long-time limit, the kinetic equations are solved with a matrix factorization ansatz in terms of a backward iteration, forming an iterated matrix function system, and a complementary forward iteration, both running along the template sequence. The iterative method is very significantly faster than usual computational methods, as demonstrated with a numerical example.
In the present paper, we apply the iterative mathematical method previously developed for the kinetics of template-directed multistate copolymerization to the kinetics of DNA replication by polymerases having multiple structural states. In particular, we study a two-state kinetic model for the T7 DNA polymerase. We obtain the mean velocity for the growth of the copy along the template, the error probability of DNA replication by the polymerase, and the local probabilities of base-pair formation along the template sequence. Furthermore, we show that the iterative method is more than a million times faster than usual numerical simulation methods. Results are also obtained in the approximation of homogenization of template heterogeneities.
We establish interior regularity results for a broad class of two-dimensional nonlinear elliptic systems. Our approach isolates the core integrability mechanism within a unified abstract framework built around a Campanato-type discrete iteration scheme coupled with a Caccioppoli-type estimate. Specifically, we show that within any class of admissible pairs $(\boldsymbol{u}, \boldsymbol{f})$ that is stable under rescaling and satisfies a discrete oscillation-decay axiom, the map $\boldsymbol{u}$ is automatically locally Hölder continuous. Furthermore, the resulting Hölder exponent is explicit and optimally attains the classical Morrey--Campanato threshold dictated by the Lebesgue integrability of the source term $\boldsymbol{f}$. This purely analytic framework systematically avoids the $\mathcal{H}^1$--$\mathrm{BMO}$ duality, Wente's inequality, moving frames, and conformal uniformization techniques that underpin existing regularity theories. We apply this principle to derive regularity results in regimes lying strictly beyond the reach of existing gauge-theoretic methods. As a foundational example, we provide a new direct proof of local Hölder continuity for almost harmonic maps $-\Delta \boldsymbol{u} = |\nabla \boldsymbol{u}|^2 \boldsymbol{u} + \boldsymbol{f}$ into $\mathbb{S}^n$ with $L^q$-integrable tension fields. We then extend the analysis to systems of the form $-\Delta \boldsymbol{u} = \Omega \cdot \nabla \boldsymbol{u} + \boldsymbol{f}$, replacing geometric antisymmetry assumption on the connection form $\Omega \in L^2$ with the purely analytic condition $\mathrm{div} \Omega \in L^q$ for some $q>1$...
We study the effect of subsystem decoherence to an extended cluster state which is a symmetry protected topological (SPT) phase. The model includes many subsystem $Z_2$ symmetries. We report that subsystem decoherence induces local charge fluctuations, leading to a mixed SPT state in the unaffected subsystems. If we start from the extended cluster state, hierarchical mixed-state SPT phases emerge in response to step-by-step subsystem decoherences. These mixed-state SPT phases keep strong symmetries the symmetry of which is protecting symmetries for the initial cluster SPT. Moreover, these SPTs can be characterized by Rényi-2 string orders. Then, as the subsystems are progressively decohered, the hierarchy of mixed-state SPT phases terminates in a $Z_2$ strong-to-weak spontaneous symmetry breaking (SWSSB) state on the final remaining subsystem, where a long-range entangled state appears, namely a glassy Greenberger-Horne-Zeilinger (GHZ) state. Our work demonstrates that decoherence is not merely a destructive process, but can induce and organize series of nontrivial mixed-states. This reveals a systematic route from mixed-state SPT order to SWSSB with the glassy GHZ-type long-range entanglement.
Quantitative imaging of heat transport with high spatial and temporal resolution is essential for understanding thermal processes in heterogeneous systems, yet direct measurements of transient temperature fields at material interfaces remain challenging. Here, we employ time resolved thermal optical diffraction tomography (thermal ODT), a label free nanoscale optical thermometry technique that reconstructs spatio-temporal evolution of three dimensional temperature fields from thermally induced refractive index changes. We show that thermal diffusion along an interface is controlled by their thermal effusivity contrast. We also derive an effective interfacial diffusivity that accurately describes the lateral propagation of thermal fields and validate the model through finite-element simulations across a broad range of liquid-glass interfaces. Surprisingly, liquids with lower bulk thermal diffusivities exhibit faster interfacial thermal spreading due to their lower effusivities. The measured diffusivities agree quantitatively with theoretical predictions over diverse material combinations. By combining volumetric thermal imaging with a general framework for interfacial heat transport, our work establishes thermal ODT as a powerful platform for investigating nanoscale thermodynamics and engineering heat flow in heterogeneous environments.
Building on resistive communication, this paper presents a physics-based design of an on-chip neural network with multi-level memristive synapses supporting a dense spectrum of conductance states. Derived from ionic transport physics, we develop a state-variable model and quantify storable sub-levels under thermal noise, drift, and quantized conductance. We assemble these devices into a 1T1R crossbar fabric, derive the linear algebra of analog vector-matrix multiplication (VMM) under wire resistance, and design a differential synapse for signed weights. A multilayer pipeline executes inference, backpropagation, and weight updates physically in the analog domain. We derive the in-situ outer-product learning rule, its discretization onto the conductance lattice, and the resulting quantization noise. We provide energy, area, capacity, and inter-tile models, showing this substrate is ideally suited for large language models (LLMs). Our design eliminates weight movement, surpassing binary ReRAM and traditional CMOS. We detail the material stack (HfO_2-based), the FEOL/BEOL CMOS foundry-integration flow, a self-contained SPICE model, the complete memristive-FPGA neuromorphic system, and an in-memory self-attention engine with current-mode translinear softmax. Finally, a ternary BitNet datapath shows projected per-token efficiency orders of magnitude better than advanced CPUs or GPUs. The result is a self-contained hardware-native blueprint for a high-density, analog, in-memory neural processor.
We report the fabrication and characterization of an integrated quantum photonic device consisting of an electrically driven whispering-gallery-mode micropillar laser evanescently coupled to a ridge waveguide, both incorporating InGaAs quantum dots (QDs). The lasing characteristics of microlasers are systematically investigated as a function of the pillar-waveguide gap distance. Coherent emission from the whispering-gallery-mode microlaser coupled into the waveguide enables on-chip optical excitation of QDs embedded in an electrically contacted micropillar at the end of the waveguide. Under continuous-wave on-chip excitation, we observe single-photon emission with $g^{(2)}(0) = (3.49 \pm 0.01) \%$ for a QD integrated in the outcoupling micropillar which can be spectrally tuned-by the quantum confined Stark effect. These results constitute an important step toward low-footprint, deterministic, and scalable single-photon sources for QD-based integrated quantum photonic circuits.
A phase-field-based reaction-diffusion corrosion model is developed to predict microbially influenced corrosion (MIC) in metal alloys, with a focus on anaerobic conditions and sulfate-reducing bacteria (SRB). The formulation couples microbial sulfate reduction, sulfate transport, electrochemical kinetics, material dissolution, and mechanical effects. Microbial activity is modelled using a Monod-type expression for sulfate consumption, whereas the mechano-chemical coupling is incorporated through an enhanced mobility relationship that captures the influence of mechanical fields on corrosion kinetics. The model is calibrated against experiments and shows strong agreement in predicting pitting kinetics under SRB activity. Sensitivity analyses quantify the competing roles of microbial kinetics, transport, and thermodynamic driving forces in governing corrosion behaviour. The capability of the formulation to capture both MIC-induced pitting and stress-assisted corrosion across multiple length scales is demonstrated through case studies that include microstructure-sensitive simulations and structural-scale coupling with a cathodic protection (CP) model. Results show that finer grain sizes reduce pitting severity but promote faster defect propagation under mechanical loading. At the structural scale, coupling with the CP model enables predictions of defect growth under varying electrochemical conditions and over engineering-relevant length scales, as exemplified with the analysis of an offshore wind turbine monopile. CP delays pitting and suppresses crack propagation, although its effectiveness diminishes as sacrificial anodes degrade. The framework provides a predictive and computationally efficient tool for assessing MIC-induced damage over extended times, with potential applications in the integrity and life assessment of metallic structures operating in aggressive microbial environments.
We study the polar director structure in thin planar cells filled with bent-core liquid crystals in the ferroelectric smectic-A phase (SmAP$_\text{F}$). We analyze a continuum phenomenological model proposed in the physics literature and present rigorous proofs of the existence and uniqueness of the equilibrium solutions. We further investigate the qualitative properties of nontrivial solutions and examine the effects of a bias electric field, surface anchoring, and cell thickness on the polar director configuration. Our results are consistent with previous experimental and numerical simulations reported in the physics literature. In addition, our analysis reveals new parameter-dependent behaviors supported by our numerical simulations and extends results reported from previous literature.
We investigate the thermodynamic performance of a quantum Otto machine whose working substance is a single electron confined in a double quantum dot under an external magnetic field and Rashba spin-orbit interaction. The Hamiltonian is controlled by the Zeeman splitting, the interdot tunneling amplitude, and the Rashba coupling, which induces spin-flip tunneling between localized orbital states. Within a quasistatic Otto cycle, we analyze the heat exchanged with the reservoirs, the extracted work, and the efficiency as functions of the Hamiltonian parameters and reservoir temperatures. We show that the Rashba interaction acts as an effective control parameter for switching among heat-engine, refrigerator, heater, and accelerator regimes. A global numerical analysis over the Hamiltonian parameters and reservoir temperatures identifies the optimal operating points for efficiency and work output in the heat-engine regime. The highest efficiencies occur near the maximum temperature gradient explored and approach the Carnot bound, whereas the largest work output appears in a different region of parameter space. The results reveal a clear trade-off between maximum efficiency and maximum extracted work, governed by the spectral deformation induced by the Zeeman splitting, tunneling amplitude, and Rashba coupling.
Catalyst discovery for ammonia synthesis is inherently a reaction-network challenge because catalytic performance is governed not by a single adsorbed intermediate, but by a surface's orchestrated compatibility with multiple distinct intermediates across competing dissociative and associative pathways. However, navigating ultra-large chemical spaces under such multi-intermediate constraints remains a formidable bottleneck for conventional screening workflows. Here, we report a reaction-network-level catalyst discovery framework driven by ten-million-scale generative exploration. By coupling adsorbate-specific generative Transformers with high-throughput machine learning potentials, we systematically map the structure-property landscapes of four critical intermediates (N*, NH*, NNH*, and HNNH*). Scale-dependent overlap analysis shows that the full four-intermediate compatibility space remains strongly under-sampled at conventional 105-106 generative scales, emerging exclusively under ten-million-scale exploration. By generating approximately 15 million configurations per adsorbate, followed by structural compression and machine-learning-potential predictions, we identified 279 highly potential target materials. This sparse compatibility space successfully recovers traditional Fe- and Ru-based motifs while uncovering previously unexplored catalyst families. Representative DFT calculations validate pathway-dependent mechanisms: Fe-V emerges as a dissociative-pathway lead by significantly lowering the initial N2 dissociation barrier, whereas Al-Pd-Zr efficiently stabilizes associative intermediates as an associative-pathway lead. These findings establish multi-intermediate reaction-network compatibility as a robust criterion for discovering advanced catalysts from multi-million generative chemical spaces.
Reversible control of crystal symmetry offers a powerful route to programmable optical functionality. However, achieving solid-state bistability between centrosymmetric and non-centrosymmetric crystalline phases remains a formidable challenge; examples of materials that enable stable switching of second-order nonlinear optical (NLO) responses are exceptionally rare. Here we report a solar-powered, symmetry-bistable organic material based on the photoisomerizable molecule (E/Z)-2-(4-(4-bromophenyl)thiazol-2-yl)-3-(4- (dimethylamino)phenyl)acrylonitrile (E/Z-BTDPA). The crystallizable E- and Z-isomers adopt distinct molecular packing arrangements that reversibly toggle between these states, controlling second-order NLO activity. The E-form exhibits strong second-harmonic generation (SHG), whereas the Z-form is SHG-inactive and displays twophoton luminescence. This bistable behavior is retained in flexible thin films, where sunlight-driven photoisomerization enables reversible photoswitching of the second-order electric susceptibility (\c{hi} 2), large-area optical patterning, and real-time NLO communication via waveform generation and text-string transcription at telecommunication wavelengths. This sustainable strategy bypasses rigid inorganic architectures, establishing photoinduced symmetry bistability as a scalable paradigm for all-optical computing and advanced communication networks.
Powder spreading and layer deposition are fundamental stages of Powder Bed Fusion (PBF) technologies and play a critical role in determining process stability and final component quality. This chapter examines the mechanisms governing powder-bed formation, highlighting the interactions between powder characteristics, process parameters, and machine architecture. Particular attention is devoted to the influence of particle size distribution, morphology, cohesion, flowability, layer thickness, recoater velocity, and environmental conditions on powder-bed quality. The resulting powder-bed is discussed as a process state variable whose characteristics, including packing density, surface coverage, effective layer thickness, and spatial homogeneity, directly affect energy absorption, melt-pool stability, defect formation, and mechanical performance. The chapter also reviews the application of the Discrete Element Method (DEM) for modelling powder spreading phenomena and quantifying powder-bed quality metrics. Finally, the role of powder reuse, lifecycle management, and future developments involving process monitoring, digital twins, and data-driven optimization strategies is discussed, emphasizing the growing importance of powder engineering in advanced metal additive manufacturing.
Predictive modelling of triboelectric nanogenerators (TENGs) remains fragmented across analytical theories, finite-geometry solvers and disconnected simulation workflows. These disparate approaches must be unified into an executable framework to advance quantitative TENG this http URL we introduce a charge-defined modelling framework and implement it as TENG-CLAW, a physics-governed platform for traceable TENG simulation. The framework establishes a self-consistent electrostatic hierarchy in which triboelectric charges, pre-charging charges and compensating electrode charges serve as defining state this http URL hierarchy connects the infinite plate analytical limit for near-uniform fields with finite-geometry numerical formulations required for edge-dominated devices. Built on this basis, TENG-CLAW converts user-defined research requests into physically admissible simulation tasks, so that generated outputs are tied to explicit charge states, boundary conditions, solver routes and reusable artifacts across spatial, temporal, field-level, comparative and reporting workflows. This work establishes a rigorous computational basis for interpreting TENG mechanisms and provides reproducible research infrastructure for simulation and physics-guided device design.
There has been rapid progress in generative artificial intelligence (AI) models for inorganic crystal design, which can efficiently generate large numbers of candidate compounds after being trained on databases of known crystals. However, it remains unclear whether they genuinely expand the accessible materials search space beyond conventional strategies such as elemental substitution within known structure types. We address this question by developing a workflow to assess whether AI-generated crystals are duplicates of training structures, reproducible by elemental substitution, or unmatched by either criterion. Applying this workflow to representative generative models reveals that 81-92% of chemically valid and metastable generated crystals are either training duplicates or substitution-derived structures. This tendency is particularly strong in high-symmetry crystal systems, even though many possible structural prototypes remain unexplored. Further analysis of the underlying structural fingerprints shows that low-symmetry structures beyond duplication or substitution can be interpreted as interpolation in training-data-rich regions, while high-symmetry duplicates appear to result from memorisation in training-sparse regions. Our findings highlight a limitation in the current generation of models that exhibit a bias towards known structural prototypes in the high symmetry regions, but enable wider exploration of the low-symmetry structural space.
Controlled, reproducible generation of luminescent defect centres in hBN remains a key challenge for scalable quantum-photonic technologies. Here, we report Kr$^{+}$ ion implantation as a tunable, annealing-free, and chemically inert route to room-temperature near-infrared luminescent spin defects in hBN, requiring no pre- or post-implantation annealing. SRIM Monte Carlo simulations were used to optimise the parameters for 40 keV Kr$^{+}$ irradiation of hBN flakes. The implanted samples exhibit a stable near-infrared photoluminescence (PL) band centred at $\sim$830 nm whose intensity increases with implantation fluence over $10^{11}$-$10^{15}$ions/cm$^{2}$. Temperature-dependent PL measurements (20-300 K) reveal a linewidth broadening well described by a $T^{3}$ dependence, consistent with acoustic-phonon-mediated dephasing. Raman spectra show the characteristic $E_{2g}$ mode of pristine hBN at $\sim$1366 cm$^{-1}$ alongside an implantation-induced defect feature at $\sim$1295 cm$^{-1}$, confirming irradiation-induced lattice disorder. Electron paramagnetic resonance (EPR) measurements reveal a paramagnetic centre with a $g$-factor of 2.003, and density functional theory (DFT) calculations indicate that a spatially separated $V_{\mathrm{N}}$-$C_{\mathrm{B}}$ donor-acceptor pair complex is a viable origin of the observed optical and magnetic signatures. Overall, Kr$^{+}$ implantation offers an effective, annealing-free, and scalable platform for generating stable room-temperature luminescent defects, providing a promising route toward quantum photonics.
Understanding particle-induced damage tracks in solid-state materials underpins emerging applications in rare-event detection and quantum defect engineering. Resolving these tracks requires multi-scale readout, from event localization at the millimeter scale to track-morphology reconstruction at the nanoscale. Nitrogen-vacancy (NV) centers in diamond provide such a platform, combining optical localization with quantum sensing of track morphology. Here, we implant sub-MeV carbon ions into nitrogen-rich diamond and detect individual recoil events via spatially localized NV formation. We develop a simulation framework that explains the observed NV yield and predicts that directional information is retained in the NV distribution after annealing. Machine learning further recovers much of the information lost to defect diffusion and limited NV yield, improving head-tail classification to a level comparable to pre-annealed vacancy tracks. Measurements of NV spin coherence indicate compatibility with nanoscale track reconstruction via NV strain mapping and magnetic gradient-based techniques. These results identify promising pathways toward NV-diamond directional detectors for rare events, while the track-modeling framework has broader implications for paleodetection and quantum material synthesis.
We investigate multi-component metallic glass systems using a hybrid Molecular Dynamics (MD) and Variance-Constrained Semi-Grand Canonical approach. This method enables us to generate samples with properties consistent with experimental observations, at deeply supercooled states that are typically inaccessible with conventional MD simulations. Using a realistic interatomic potential, we investigate the dynamics, kinetic stability, and rheology of a ZrCu(Al) metallic glass, together with the widely studied ZrCu system, in the low-temperature glassy regime. Our results demonstrate how the hybrid method enhances relaxation and provides a generic framework for modeling realistic complex metallic glasses.
In Bernal bilayer graphene (BBG), a perpendicular displacement field flattens the bottom of the conduction band and thereby facilitates the formation of strongly correlated electron states at low electron density. Here, we focus on the Wigner crystal (WC) state, which appears in a certain regime of sufficiently large displacement field, low electron density, and low temperature. We first consider a model of BBG without trigonal warping, and we show theoretically that Berry curvature leads to a new kind of WC state in which the electrons acquire a spontaneous orbital magnetization when the displacement field exceeds a critical value. We then consider the effects of trigonal warping in BBG, and we show that they lead to an unusual ``doubly re-entrant" behavior of the WC phase as a function of density. The rotational symmetry breaking associated with trigonal warping leads to a nontrivial ``minivalley order" in the WC state, which changes abruptly at a critical value of displacement field. In both cases, we estimate the phase boundary of the WC state in terms of density, displacement field, and temperature. This paper is complementary to our recent work [Joy et al., Phys. Rev. Lett. 135, 256502 (2025)].
Direct observation of individual fluorescent emitters is crucial for understanding and studying quantum materials, chemical reactions, and biological systems. However, current single-molecule tracking methods only focuses on the localizations of molecules, overlooking molecular configuration and orientation. In this work, we introduce a high-throughput polarized single-molecule localization microscopy that simultaneously resolves the locations and emission dipole orientations of single fluorescent emitters with nanometer precision. Using the interface between pristine hexagonal boron nitride (h-BN) and an organic solvent as a challenging platform, we capture over 10^5 fluorescent events and reveal distinct molecular interaction dynamics at room temperature. The measured dipole orientations align with the three-fold rotational symmetry of the h-BN lattice, and molecular dynamics in the liquid enivronment can be modulated electrochemically, suggesting a route for on-demand control of quantum emitters. We also find that lateral diffusion at the solid-liquid interface is far more dynamic than that of solid-state emitters. This simultaneous tracking of molecular conformation and photophysics advances the understanding of single-molecule interactions and enables real-time sensing through two-dimensional materials.
We establish the exponential clustering of correlation functions for the high-temperature Gibbs states of Bose-Hubbard type models. To overcome the technical difficulties arising from the unboundedness of bosonic operators, we develop the interaction-picture cluster-expansion technique. This method also allows us to systematically bound the moments of the local particle number. This result provides an analytical justification for the low-boson-density condition frequently assumed in the study of bosonic many-body systems. As direct mathematical consequences of the clustering property, we derive a uniform upper bound on the specific heat density and establish a bosonic thermal area law with improved temperature dependence.
X-ray magnetic circular dichroism (XMCD) and resonant inelastic X-ray scattering with magnetic circular dichroism (RIXS-MCD) provide unparalleled insights into the electronic and magnetic dynamics of complex materials. However, interpreting their spectra in mixed-valence systems remains challenging due to intricate many-body interactions and enhanced charge fluctuations. In this study, by utilizing the Anderson impurity model with a full consideration of charge transfer (CT), many-body core-valence exchange correlation (CVEC) effects, and Jahn-Teller (JT) distortions, we systematically investigate the XMCD and RIXS-MCD spectra for a prototypical mixed-valence ferromagnet, La$_{0.7}$Sr$_{0.3}$MnO$_3$ film. We demonstrate that simple calculation with limited CT effects fails to capture characteristic substructures observed experimentally. In contrast, an adequate treatment of CT and CVEC effects yields a more consistent description of both XMCD and RIXS-MCD spectra, providing practical guidance for the interpretation of dichroic x-ray spectroscopies in mixed-valence transition-metal oxides. Furthermore, we discuss the role of the JT effect in Mn$^{3+}$ ions in the determination of their spectra.
Since the discovery of superconductivity in nickelate thin films in 2019, the quest for enhancing their $\mathrm{T}_\mathrm{c}$ has been ongoing. Here we provide experimental evidence for $\mathrm{T}_\mathrm{c}$ enhancement in oxygen deficient films on highly reduced and conducting SrTiO$_3$ substrates. $\mathrm{T}_\mathrm{c}$ onset of 50-70 K was found in Meissner and transport measurements, which indicates superconductivity in islands or domains in our films, where $\mathrm{T}_\mathrm{c}$ of zero resistance is obtained at 20-25 K. In addition, we observed a giant paramagnetic-Meissner effect peak at about 48 K, which further supports the existence of a superconductive transition just above it. Furthermore, an asymmetric or nonreciprocal and non-hysteretic superconductive diode effect was observed. The latter effect could be fully polarized, and its polarity could be reversed. Our mixed phase films comprised of many Ruddlesden-Popper $\rm (Nd_{0.8}Sr_{0.2})_{n+1}Ni_nO_{3n+1}$ phases and includes the infinite-layer (IL) phase.
We present an absolutely convergent real-space method for evaluating Madelung potentials in ionic lattices. The method, based on repeated axial multipole units with systematically eliminated low-order moments, applies uniformly to bulk crystals, surfaces, edges, interstitial sites, and exterior points, without recourse to reciprocal-space techniques. In the RU-13 construction, the far-field contribution of each axial multipole unit decays as r^(-13), ensuring fast and absolute convergence of the real-space direct sum. The method yields identical limits under spherical and cubic summation geometries and reproduces standard Madelung constants with high precision, achieving 13-digit accuracy within a radius of 40 lattice spacings. Extensions to dimensions d = 1-6 exhibit convergence consistent with asymptotic decay predictions.
We numerically investigate the telltale signs of pair-density-wave order (PDW) in the Kondo-Heisenberg chain by focusing on the momentum resolved spectrum in different parameter regimes. Density matrix renormalization group calculations reveal that this phase is characterized by a dispersion with two minima and four Fermi points, indicating the emergence of an effective next-nearest-neighbor hopping that arises as a second-order effect to avoid magnetic frustration. The pairs appear in the spectrum as in-gap bound states with weight concentrated in the hole pockets. The low-energy physics can be understood by means of a generalized t-J model with next-nearest-neighbor hopping. Our results offer a guide for searching for experimental signatures, and for other models that can realize PDW physics.
OpenAI's reasoning model o3-mini-high was used to carry out an exact analytic study of one-dimensional ferrimagnetic site- and bond-decorated $q$-state Potts models. We demonstrate that the finite-temperature ultranarrow phase crossover (UNPC), driven by a hidden "half-ice, half-fire" state recently discovered in the $q=2$ case (Ising model), persists for $q>2$. Moreover, we identify unique features for $q>2$, including the dome structure in the field-temperature phase diagram, and for large $q$ a secondary high-temperature UNPC to the fully disordered paramagnetic state. As the UNPC quickly approaches a genuine transition by enhancing $J$, the interaction between the backbone spins, two distinct behaviors emerge: In the site-decorated Potts model, $T_0$ is independent of $J$ and thus remains unchanged (Type-I UNPC), and in the bond-decorated Potts model with $q > 2$, $T_0$ depends on $J$ and quickly shifts toward a finite temperature as $J$ increases (Type-II UNPC). These results establish a versatile framework for engineering controlled fast state-flipping switches in low-dimensional systems. Our nine-dan artificial intelligence (AI)-contribution framework assigns AI the meritorious status of AI-co-led discovery in this work.
We present a numerical, non-perturbative framework for constructing effective Hamiltonians that describe the dynamics of low-energy degrees of freedom within a restricted Hilbert space in quantum many-body systems. The approach is based on block diagonalization guided by a minimal-deformation principle imposed within a selected target sector. The formulation is designed to remain compatible with the numerical linked-cluster expansion. For gapped systems, the relation between minimal deformation and cluster additivity requires careful treatment when excited eigenstates contain finite admixtures of the ground state. After establishing a cluster-additive basis that reproduces the Hörmann-Schmidt construction, the minimal-deformation criterion uniquely determines the effective Hamiltonian within each excitation sector. The same criterion also provides a practical numerical procedure for selecting relevant low-energy eigenstates, including regimes characterized by strong level mixing and avoided crossings. The framework is illustrated using two spin models: the one-dimensional transverse-field Ising model as a benchmark and the two-dimensional Shastry-Sutherland model with Dzyaloshinskii-Moriya interactions, relevant to SrCu$_2$(BO$_3$)$_2$. In both cases, the resulting effective Hamiltonians accurately capture the excitation dynamics and the associated band structures.
We obtain the $\rm{p4m}$-symmetric Group Convolutional Neural Network (GCNN) representations of the lowest energy eigenstate of the quantum dimer model on $L{\times} L$ square-lattice in each of the ${(L^2+18L+72)}/{8}$ irreducible representations (irreps) of the lattice space group and use these to investigate the competition between columnar, plaquette and mixed phases. The networks are optimized within each irrep by minimizing the energy, which is estimated from samples obtained via an efficient directed loop sampler. In extensive benchmarks, we show excellent agreement in energy estimates, order parameters and correlation functions with exact diagonalization or quantum Monte Carlo in systems of sizes $8\leq L\leq 32$. Analysis of the scaling of the gaps in different representation sectors with systems of sizes up to $L=32$ suggest a $4$-fold degenerate ground state for $V\leq 0.4$ narrowing the regime of possible mixed/plaquette phases to $0.4 < V< 1$. Our results show that GCNN is a powerful tool to investigate ground state phase diagrams. The approach paves the way for even more accurate results by producing highly accurate variational baseline wavefunctions for quantum Monte Carlo approaches.
Tensor renormalization group, originally devised as a numerical technique, is emerging as a rigorous analytical framework for studying lattice models in statistical physics. Here we introduce a new renormalization map - the 2x1 map - which coarse-grains the lattice anisotropically by a factor of two in one direction followed by a 90-degree rotation. We develop a novel graphical language that translates the action of the 2x1 map into a system of inequalities on tensor components, with rigorous estimates in the Hilbert-Schmidt norm. We define a finite-dimensional "bounding box" called the hat-tensor, and a master function governing its RG flow. Iterating this function numerically, we establish convergence to the high-temperature fixed point for tensors lying within a quantifiable neighborhood. Our main theorem shows that tensors with deviations bounded by 0.02 in 63 orthogonal sectors flow to the fixed point. We also apply the method to specific models - the 2D Ising and XY models - obtaining explicit bounds on their high-temperature phase. This work brings the Tensor RG program closer towards a rigorous, computer-assisted construction of critical fixed points.
Realizing the promise of quantum computation for condensed matter many-body problems depends as much on software as on hardware, yet the area is reviewed far more often than it is quantified. We address this gap by pairing a focused survey of quantum algorithm software for condensed matter physics with a compact, fully reproducible benchmark suite that turns qualitative claims into concrete numbers. Each algorithm family, namely the variational quantum eigensolver (VQE), quantum phase estimation (QPE), quantum annealing and the quantum approximate optimization algorithm (QAOA), and quantum machine learning (QML), is demonstrated on a canonical lattice model and validated against an independent classical reference, from exact diagonalization and the Bethe ansatz to matrix-product-state DMRG. Within this suite we quantify two issues usually treated only qualitatively. Mapping the Fermi-Hubbard model to qubits under the Jordan-Wigner and Bravyi-Kitaev encodings, we tabulate qubit counts, operator weights, and gate costs and expose a geometry-dependent trade-off between the two. Simulating the circuits under a depolarizing noise model, we show that zero-noise extrapolation restores ground-state energies and optimization quality across the noise range. Around these results we review the algorithms as applied to strongly correlated systems, topological phases, and quantum magnetism, together with the leading software development kits (Qiskit, Cirq, PennyLane, and Q\#) and the classical and tensor-network methods against which quantum approaches must be benchmarked. All circuits, seeds, and data are released so the benchmarks can be reproduced and extended. We argue that standardized, reproducible benchmarks of this kind are essential to gauge progress and identify genuine quantum advantage in condensed matter physics.
The thermodynamic limit is foundational to statistical mechanics, underlying our understanding of many-body phases. It assumes that, as the system size grows infinitely at fixed density of particles, unambiguous macroscopic phases emerge that are independent of the system's boundary shape. We present explicit quantum spin and dimer Hamiltonians whose ground states violate this principle. Our construction relies on the previous mathematical work on classical dimers on the Aztec diamond and the square-octagon fortress, where geometry-dependent phase behaviors are observed in the infinite-size limit. We reverse engineer quantum spin Hamiltonians on the square and the square-octagon lattices whose ground states at the Rokhsar-Kivelson points are described by classical dimer coverings. On diamond-shaped domains, we find macroscopic boundary regions exhibiting distinct quantum phases from those on square-shaped domains. We study the nature of these phases by calculating the dimer-dimer and vison correlators and adapt Kasteleyn matrix based analytical and numerical methods for computing the vison correlator, which are significantly more efficient than standard Monte Carlo techniques. Our results show that the square-octagon lattice supports a single gapped short-range entangled phase, with exponentially decaying dimer correlators and a constant vison correlator. When the same model is considered on a diamond-shaped domain, two additional macroscopic regions emerge, with one near the corners and exhibiting staggered dimer order, and another exhibiting critical correlations.
The non-Hermitian bulk-boundary correspondence features an interplay between the non-Hermitian skin effect and anomalous boundary-mode behavior. Whereas the skin effect is known to manifest itself in quantum dynamics in the form of chiral damping, it has remained less clear what impact the boundary modes may have. Here we derive experimentally accessible signatures of the boundary modes. We also establish clear criteria, based on the generalized Brillouin zone, that determine when bulk and boundary effects can be dynamically discerned using the Liouvillian separation gap. This leads to telltale signatures in both stable regimes -- where particle number remains finite -- and in the unstable regimes -- where a macroscopic boundary mode population occurs.
Learning is a complex dynamical process shaped by a range of interconnected decisions. Careful design of hyperparameter schedules for artificial neural networks or efficient allocation of cognitive resources by biological learners can dramatically affect performance. Yet, theoretical understanding of optimal learning strategies remains sparse, especially due to the intricate interplay between evolving metaparameters and nonlinear learning dynamics. The search for optimal protocols is further hindered by the high dimensionality of the learning space, often resulting in predominantly heuristic, difficult to interpret, and computationally demanding solutions. Here, we combine statistical physics with control theory in a unified theoretical framework to identify optimal learning protocols in prototypical neural network models. In the high-dimensional limit, we derive closed-form ordinary differential equations that track online stochastic gradient descent through low-dimensional order parameters. We formulate the design of learning protocols as an optimal control problem directly on the dynamics of the order parameters with the goal of minimizing the generalization error. This formulation encompasses a variety of learning scenarios, optimization constraints, and control budgets. We apply it to representative cases, including optimal curricula, adaptive dropout regularization and noise schedules in denoising autoencoders. We find nontrivial yet interpretable strategies highlighting how optimal protocols mediate learning trade-offs. Our results establish a principled foundation for understanding and designing optimal protocols and suggest a path toward a theory of meta-learning grounded in statistical physics.
Isometric tensor network states (isoTNS) generalize the isometric form of the one-dimensional matrix product states (MPS) to tensor networks in two and higher dimensions. Here, we introduce an alternative isometric form for isoTNS by incorporating auxiliary tensors to represent the orthogonality hypersurface. We implement the time evolving block decimation (TEBD) algorithm on this new isometric form and benchmark the method by computing ground states and the real time evolution of the transverse field Ising model in two dimensions on large square lattices of up to 1250 sites. Our results demonstrate that isoTNS can efficiently capture the entanglement structure of two-dimensional area law states. The short-time dynamics is also accurately reproduced even at the critical point. Our isoTNS formulation further allows for a natural extension to different lattice geometries, such as the honeycomb or kagome latice.
The interplay between localized magnetic moments and itinerant electrons gives rise to exotic quantum states in condensed matter systems. Here, we demonstrate an electrically tunable heavy fermion phase diagram in magic-angle twisted trilayer graphene, achieved by controlling the Kondo hybridization between localized flat-band electrons and itinerant Dirac electrons via a displacement field. Our results reveal a continuous quantum phase transition from an antiferromagnetic semimetal to a paramagnetic heavy fermion metal. At quantum critical point, we observe effective mass divergence and Fermi surface reconstruction. This highly tunable platform offers unprecedented control over heavy fermion physics, establishing moire heterostructures as a versatile arena for exploring correlated quantum phases-including potential unconventional superconductivity-in two-dimensional limit.
For nearly two decades, it has been known that electron irradiation of hexagonal boron nitride (hBN) in a transmission electron microscope leads to the formation of triangular pores. This has been attributed to the lower displacement threshold energy of boron, with or without the assistance of an inelastic scattering event, typically assuming that chemical processes caused by residual gases can be neglected. In this study, in contrast to previous high-vacuum experiments, we show that electron irradiation in ultra-high vacuum leads to circular pores, whereas even small amounts of oxygen in the atmosphere during the experiment drive the pores to grow into triangle shapes with nitrogen-terminated edges. This result is shown to hold for samples of different types and from different manufacturers, and at different electron energies as well as focused scanning and defocused stationary beams. Our results explain the chemical origin of triangular pores in hBN and demonstrate a deterministic way to create atomically defined pores in this important 2D material.
We theoretically propose a Hall effect driven by effective gravitational fields arising from quantum geometry. We identify four mechanisms for this ``emergent-gravity Hall effect'': real-space gravity, momentum-space gravity, gravitational anomalous velocity, and gravitational Lorentz force, all of which are described by Christoffel symbols in real, momentum, or time spaces. Based on the semiclassical theory, we construct a unified theoretical framework to systematically investigate how emergent gravity in these spaces affects transport phenomena. We demonstrate these effects through model calculations and clarify the conditions under which a finite Hall response can arise. Our findings open a new avenue for exploring gravitational effects in quantum systems.
Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table. However, their evaluation has been limited to computational benchmarks that may not reflect real-world performance. We introduce UniFFBench, a comprehensive evaluation framework featuring the MinX dataset -- a diverse collection of 1,500+ mineral systems spanning 85 elements, extreme thermodynamic conditions (0--5000 K, 0--1000 GPa), and structural complexity, including partial occupancy and disorder. This diversity, combined with experimental reference values for validation, enables assessment of UMLFF generalization across chemical space and conditions substantially beyond typical training scenarios. Our systematic evaluation of six state-of-the-art UMLFFs reveals a substantial ``reality gap'': models achieving impressive performance on computational benchmarks often fail when confronted with experimental complexity. Even the best-performing models exhibit higher density prediction error than the threshold required for practical applications. We observe disconnects between simulation stability and mechanical property accuracy, with prediction errors correlating with training data representation rather than the modeling method.
The coexistence of ferroelectricity and magnetism in a single-phase oxide is rare because the electronic requirements for these two orders are often incompatible. Here, using first-principles calculations and parallel-tempering Monte Carlo simulations, we propose stoichiometric VHfO$_4$ as a hafnia-derived multiferroic that overcomes this constraint through ordered cation design rather than dilute magnetic doping. We found that VHfO$_4$ could stabilize in a polar \(Pca2_1\)-like structure with layered V/Hf ordering, remains dynamically stable, and preserves switchable ferroelectricity with a large spontaneous polarization. The ordered V sublattice introduces competing exchange interactions that favor an antiferromagnetic ground state at zero strain. Epitaxial strain further drives transitions into additional phases, including a noncollinear spiral-like state and a predominantly in-plane antiferromagnetic state. We also find that out-of-plane lattice distortions along the polar axis strongly modify the exchange interactions and magnetic phase stability, indicating a strain-mediated pathway for electric-field control of magnetism. These results establish VHfO$_4$ as a promising platform for exploring multiferroicity and magnetoelectric coupling in hafnia-based oxides.
We introduce a contactless technique for probing superconductivity and magnetic ordering transitions in micron-sized samples under extreme pressure. Utilizing a multistage Lenz lens system, directly sputtered onto diamond anvils, we realize a radio-frequency (RF, 50 kHz - 200 MHz) transformer with a sample of 50-100 $\mu$m in diameter, as its core. This configuration enables efficient transfer and focusing of an electromagnetic field within the diamond anvil cell's chamber. Consequently, the transmitted RF signal exhibits high sensitivity to variations in the sample's surface conductivity and magnetic permeability. We validate this method by determining the critical temperatures ($T_{\text{c}}$) of known superconductors, including NbTi, MgB$_2$, Hg-1223, Bi-2212, YBCO, and REBCO in various magnetic fields, as well as the magnetic ordering temperatures of Gd and Tb. Notably, we apply this technique to the LaH$_{10-x}$, CeH$_{9-10}$, and (La,Ce)H$_{10-12}$ superhydrides at a pressure of about 1-1.5 Mbar. The observed superconducting transitions in Ce and La superhydrides at 90-110 K and 215-242 K, respectively, correlate with the $T_{\text{c}}$'s determined via traditional electrical-resistance measurements. Moreover, we show how multiple repetitions of the RF experiment with the La-Ce superhydride make it possible to detect the increase in $T_{\text{c}}$ over time up to $\approx$ 260-270 K. This finding indicates the possibility of reaching a critical $T_{\text{c}}$ around 0$^\circ$C in the La-based superhydrides.
Emergent macroscopic descriptions of matter, such as hydrodynamics, are central to our description of complex physical systems across a wide spectrum of energy scales. The conventional understanding of these many-body phenomena has recently been shaken by a number of experimental findings. Collective behavior of matter has been observed in \emph{mesoscopic} systems, such as high-energy hadron-hadron collisions, or ultra-cold gases with only few strongly interacting fermions. In such systems, the separation of scales between macroscopic and microscopic dynamics (at the heart of any effective theory) is inapplicable. To address the conceptual challenges that arise from these observations and explore the universality of emergent descriptions of matter, the EMMI Rapid Reaction Task Force was assembled. This document summarizes the RRTF discussions on recent theoretical and experimental advances in this rapidly developing field. Leveraging technological breakthroughs in the control of quantum systems, we can now quantitatively explore what it means for a system to exhibit behavior beyond the sum of its individual parts. In particular, the report highlights how the (in)applicability of hydrodynamics and other effective theories can be probed across three principal frontiers: the size frontier, the equilibrium frontier, and the interaction frontier.
Conventional \textit{ab initio} approaches are unable to describe phonon time-reversal symmetry ($\mathcal{T}$) breaking. Here, we develop an \textit{ab initio} framework, grounded in molecular Berry curvature (MBC) theory, that captures electronic-order-driven symmetry breaking in lattice dynamics. Using Co$_3$Sn$_2$S$_2$ as a model system, our \textit{ab initio} framework yields phonon spectra that break both $\mathcal{T}$ and mirror symmetries, quantitatively reproduce the observed phonon splittings observed in experiments, and reveal distinct microscopic origins for the $E_g$ and $E_u$ modes: $E_g$ splitting is governed by MBC and is accurately captured by our algorithm, whereas $E_u$ splitting is enhanced by the Fano resonance and matches the experimental data once the Fano-factor correction is included. Leveraging this algorithm, we predict several candidate materials with nonzero electronic-order-driven symmetry breaking in lattice dynamics, establishing a first-principles route to understand electron-phonon coupling, phonon magnetism, and related Hall-type lattice responses.
We present a rigorous proof that under a number-conserving Hamiltonian, one-body quasi-particles generally possess quantized charge and inertial mass identical to the bare particles. It follows that, Bogoliubov zero modes in the vortex (or on the edge) of superconductors $\textit{cannot}$ be their own anti-particles capable of braiding quantum information. As such, the heavily pursued Majorana zero mode-based route for quantum computation requires a serious re-consideration. This study further reveals the conceptual challenge in preparing and manipulating braid-able quantum states via physical thermalization or slow external fields. These profound results should reignite the long-standing quest for a number-conserving theory of superconductivity and superfluidity without fictitiously breaking global U(1) symmetry.
The macroscopic fluctuation theory is a powerful tool to characterise the large scale dynamical properties of diffusive systems, both in- and out-of-equilibrium. It relies on an action formalism in which, at large scales, the dynamics is fully determined by the minimum of the action. Within this formalism, the analysis of the statistical properties of a given observable reduces to solving the Euler-Lagrange equations with the appropriate boundary conditions. One must then compute the action at its minimum to deduce the cumulant generating function of the observable. This typically involves computing multiple integrals of cumbersome expressions. Recently, a simple formula has been conjectured to shortcut this last step, and compute the cumulant generating function of different observables (integrated current or position of a tracer) without the need to compute any integral. In this work, we prove this simple formula, and extend it to more general observables. We then illustrate the efficiency of this approach by applying it to compute the variance of a generalised current in the semi-infinite symmetric exclusion process and the joint properties of two occupation times in any diffusive system. In the case of the integrated current, our formula can be interpreted as a generalisation of Fick's law to obtain all the cumulants of the current beyond the average value.
We present data consistent with a high-temperature collective electronic phase with superconductivity-like characteristics in three dimensional networks of boron doped, ultrathin carbon nanotubes (CNTs) grown inside the 5 Angstrom channels of ZSM-5 zeolite. Confinement stabilizes (2,1) CNTs that are otherwise dynamically unstable, while boron doping shifts the Fermi level towards a van Hove singularity, as supported by ab-initio calculations. The resulting CNT network exhibits multiple, mutually consistent signatures of an electronic condensate with the typical characteristics of a high temperature superconductor at ambient pressure. DC magnetization and AC susceptibility measurements reveal the onset of a Meissner response between 220 and 250K, with compacted samples achieving up to 93 percent of full diamagnetic screening. Electrical transport shows a sharp resistive transition with extrapolated Tc = 239K and vanishing resistance in optimized samples. Specific heat measurements display a reproducible anomaly at 233 to 236 K that broadens under magnetic field, consistent with strong fluctuations. Point contact spectroscopy identifies three energy gaps, including a leading gap of 30 meV whose temperature dependence follows BCS expectations for Tc = 224K, and exhibits particle-hole symmetry and Andreev reflection. Remarkably, applying pressures below 0.1 kbar enhances Tc by nearly 100K and modulates the room temperature resistance by more than three orders of magnitude, suggesting a pressure driven 1D to 3D crossover in the CNT network. These results identify boron doped ultrathin CNT networks as a promising carbon-based platform for near ambient temperature superconductivity and reveal an unusually large pressure sensitivity with potential technological relevance.
The antiferromagnets with the time-reversal symmetry broken magnetic structures possess a finite spin splitting in the momentum space, and may contribute to a realization of a finite tunnel magnetoresistance (TMR) effect even with magnets with zero net spin polarization. In this paper, we study the TMR effect with the noncollinear antiferromagnet $\mathrm{Mn_{3}Sn}$ whose inverse $120^{\circ}$ antiferromagnetic order breaks the time-reversal symmetry. In particular, we employ the representative barrier material $\mathrm{MgO}$ as the tunnel insulator, and calculate the TMR effect in the $\mathrm{Mn_{3}Sn}(01\bar{1}0)/\mathrm{MgO}(110)/\mathrm{Mn_{3}Sn}$ magnetic tunnel junctions (MTJs), which has an optimal geometry for the spin-orbit torque switching of the magnetic configurations. We show that a finite TMR ratio reaching $\gtrsim 1000\%$ appears in the $\mathrm{Mn_{3}Sn}/\mathrm{MgO}/\mathrm{Mn_{3}Sn}$ MTJs, which is due to the spin splitting properties of $\mathrm{Mn_{3}Sn}$ in the momentum space combined with the screening effect of $\mathrm{MgO}$.
Fractional Chern insulators (FCIs) in moire materials present a unique platform for exploring strongly correlated topological phases beyond the paradigm of ideal quantum geometry. While analytical approaches to FCIs and fractional quantum Hall states (FQHS) often rely on idealized Bloch wavefunctions, realistic moire models lack direct tunability of quantum metric and Berry curvature, limiting theoretical and numerical exploration. Here, we introduce an unsupervised machine learning framework to model interacting Hamiltonians directly through the distribution of single-particle form factors. Using a variational autoencoder (VAE), we show that unsupervised learning can not only distinguish FCI and non-FCI states, but also generate new form factors with distinct topological character, not present in the training set. This latent space enables the generation and interpolation of form factors for topological flatbands with Chern number $|C|=1$, enabling the discovery of unobserved many-body states such as charge density waves. Principal component analysis (PCA) further reveals that the dominant patterns in the form factors-reflecting correlations across the Brillouin zone-can be decomposed into components with approximately quantized Chern numbers, providing new insights into the global and topological structure of quantum geometry. Our results highlight the ability of machine learning to generalize and model topological quantum systems, paving the way for the inverse design of form factors with tailored quantum geometry and many-body phases in flatband materials.
The dissipation-coherence bound is a conjectured tradeoff between entropy production and the quality of stochastic oscillations. We show that this bound can be derived by combining the higher-order ``thermodynamic uncertainty relation'' with a simple condition on phase-current fluctuations. In one-dimensional cyclic systems, our proposed condition is shown to be equivalent to the dissipation-coherence bound itself. Our approach yields an elementary proof in the weak-noise Gaussian regime and extends naturally to some non-Gaussian systems, as we illustrate with a run-and-tumble particle. Finally, we contrast current-based and spectral formulations of the dissipation-coherence bound.
The exceptional tunability of two-dimensional van der Waals materials offers unique opportunities for exploring novel superconducting phases. However, in such systems, the measurement of superfluid phase stiffness, a fundamental property of a superconductor, is challenging because of the mesoscopic sample size. Here, we introduce a contact-free technique for probing the electrodynamic response, and thereby the phase stiffness, of atomically thin superconductors using on-chip superconducting microwave resonators. We demonstrate this technique on 4Hb-TaS$_2$, a van der Waals superconductor whose gap structure under broken mirror symmetry is under debate. In our cleanest few-layer device, we observe a superconducting critical temperature comparable to that of the bulk. The temperature evolution of the phase stiffness features nodeless behavior in the presence of broken mirror symmetry, inconsistent with the scenario of nodal surface superconductivity. With minimal fabrication requirements, our technique enables microwave measurements across wide ranges of two-dimensional superconductors.
We study theoretically a process of cooling electrons using a superconducting tunnel junction with a $\pi$ phase difference and a usual insulator or a ferroelectric in-between, and an array of such junctions with ferroelectric layers in-between. These setups have a complex structure of entropy due to nodal lines, where the density of states can be divergent or larger than for a free electron gas at a chemical potential level. We consider a small current running from the bath of electrons through the setup, where electrons have to have higher entropy, and thus remove heat from the bath.
Open quantum systems far from thermal equilibrium can exhibit remarkable physical phenomena including topological properties without a direct equilibrium counterpart. Along these lines, in periodically driven-dissipative systems within the effective non-Hermitian (NH) Hamiltonian approximation spectral winding numbers have been linked to intriguing nonreciprocal transport properties. Here, going beyond an NH Hamiltonian description, we introduce and study a microscopic lattice model of a driven open quantum system described by a Markovian quantum master equation, which exhibits the mentioned spectral winding within an NH approximation. By encompassing quantum jump processes in the topological analysis, we uncover a distinct \emph{jump-induced} topological phase, which qualitatively corresponds to the richer nonreciprocal transport properties of the fully quantum model. In addition, we find that the NH skin effect, i.e., the accumulation of a macroscopic number of eigenstates at one end of the system, is already visible in the transient dynamics even for systems with periodic boundary conditions. Our results exemplify the subtle correspondence between NH topological properties and physical manifestations of Liouvillian topological properties in open quantum systems, thus providing a theoretical framework towards understanding unidirectional transport in quantum dissipative Floquet dynamics.
Ternary compounds obtained by alloying wurtzite AlN with transition metals have emerged as promising materials with significantly enhanced piezoelectric characteristics relative to binary AlN. The increased electromechanical coupling in these compounds boosts the performance of high-frequency acoustic devices. So far, progress has largely focused on Al$_{1-x}$Sc$_x$N, which is costly and poorly compatible with complementary metal-oxide-semiconductor (CMOS) technologies. Here, we investigate aluminum hafnium nitride (Al$_{1-x}$Hf$_{x}$N) as a scalable and potentially CMOS-compatible alternative to Al$_{1-x}$Sc$_x$N. Using reactive co-sputtering on both Si and sapphire substrates, we demonstrate wurtzite Al$_{1-x}$Hf$_{x}$N thin films ($x \leq 0.17$) with strong $c$-axis texture and nearly isotropic lattice expansion upon Hf incorporation. X-ray absorption spectroscopy indicates cross-gap hybridization between N 2$p$ and Hf 5$d$ states, which can enhance the Born effective charge and, thereby, the piezoelectric response. Correspondingly, we observe a nearly two-fold enhancement in the piezoelectric coefficient, $d_{33}$, relative to AlN, despite increasing structural disorder in Al$_{1-x}$Hf$_{x}$N. Building on this finding, we demonstrate Al$_{1-x}$Hf$_{x}$N GHz surface acoustic wave (SAW) resonators that exhibit enhanced performance, as well as efficient excitation of bulk acoustic waves with low propagation losses. These results establish Al$_{1-x}$Hf$_{x}$N as a promising platform for next-generation high-frequency electromechanical devices, with prospects for further piezoelectric enhancements through improved epitaxy.
Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional generation enhances this capacity by allowing inverse design, where specific desired properties can be requested during the generation process. However, conditioning of transformer-based approaches, in particular, is constrained by discrete tokenisation schemes and the risk of catastrophic forgetting during fine-tuning. This work introduces CrystaLLM-{\pi} (property injection), a conditional autoregressive framework that integrates continuous property representations directly into the transformer's attention mechanism. Two architectures, Property-Key-Value (PKV) Prefix attention and PKV Residual attention, are presented. These methods bypass inefficient sequence-level tokenisation and preserve foundational knowledge from unsupervised pre-training on Crystallographic Information Files (CIFs) as textual input. We establish the efficacy of these mechanisms through systematic robustness studies and evaluate the framework's versatility across two distinct tasks. First, for structure recovery, the model processes high-dimensional, heterogeneous X-ray diffraction patterns, achieving structural accuracy competitive with specialised models and demonstrating applications to experimental structure recovery and polymorph differentiation. Second, for materials discovery, the model is fine-tuned on a specialised photovoltaic dataset to generate novel, stable candidates validated by Density Functional Theory (DFT). It implicitly learns to target optimal band gap regions for high photovoltaic efficiency, demonstrating a capability to map complex structure-property relationships. CrystaLLM-{\pi} provides a unified, flexible, and computationally efficient framework for inverse materials design.
We present high-precision \emph{ab initio} calculations of the four-point vertex function for the three-dimensional uniform electron gas using variational diagrammatic Monte Carlo. From these results, we extract Landau parameters that reveal a density-driven crossover from underscreening to overscreening, and obtain the full two-electron scattering amplitude on the Fermi surface with controlled accuracy. A residual analysis of the scattering amplitude against the charge-channel Kukkonen--Overhauser (KO$^+$) interaction shows that only a minimal s-wave correction in the antiparallel-spin channel is needed, defining the sKO$^+$ ansatz: KO$^+$ within the local-density approximation plus this short-range correction. Using both our direct VDMC amplitudes and the sKO$^+$ ansatz, we compute the electron-electron contribution to the thermal resistivity, obtaining quantitative agreement with experiments on simple metals (Al, Na, K, Rb). sKO$^+$ thus provides a controlled UEG-based effective interaction for simple-metal transport and future first-principles extensions.
Computing the subleading logarithmic term in the entanglement entropy (EE) of (2+1)d quantum many-body systems remains a significant challenge, despite its central role in revealing universal information about quantum states and quantum critical points (QCPs). Building on recent algorithmic advances that enable the stable calculation of EE as an exponential observable~\cite{zhouIncremental2024,zhangIntegral2024,liaoExtracting2024}, we develop a {\it bubble basis} projector quantum Monte Carlo (QMC) algorithm to precisely and efficiently compute the universal corner of EE at QCPs in a (2+1)d square-lattice transverse-field Ising model augmented with a four-body interaction. Turning on this interaction allows us to trace an Ising critical line, reaching the tricritical point, and then a line of first-order phase transition. In (2+1)d, the tricritical point is described by the Gaussian theory, where a theoretical calculation of the corner logarithmic term in the 2nd Rényi entropy term is available~\cite{UniversalCasini2007}. Our QMC results are in quantitative agreement with this theoretical value, providing a highly nontrivial benchmark of the algorithm. Furthermore, we also study the Rényi EE at the Ising critical line and on the first-order transition line, obtaining results consistent with theoretical expectations. These findings establish the long-sought connection between the universal values of an exactly solvable limit and those of a strongly correlated regime at (2+1)d.
Multilayer graphene with different stacking sequences has emerged as a powerful setting for correlated and topological phases. In parallel, progress in graphene heterostructures with magnetic or correlated materials-most notably the Kitaev candidate $\alpha$-RuCl$_3$-has demonstrated charge transfer, magnetic proximity effects, and interfacial reconstruction, creating new opportunities for engineered quantum systems. Motivated by these developments, we explore a three-dimensional analogue in which $\alpha$-RuCl$_3$ layers are inserted directly into the van der Waals gaps of graphite, forming an intercalated system. Here, we report the successful synthesis and comprehensive characterization of graphite intercalated with $\alpha$-RuCl$_3$. Using a combination of X-ray diffraction, quantum oscillation measurements, and first-principles electronic structure calculations, we study the structural and electronic properties of these intercalated crystals. Our results demonstrate that graphite intercalated with $\alpha$-RuCl$_3$ offers a robust route to develop three-dimensional materials with access to novel correlated and topological states.
Research on strongly correlated electron systems faces a fundamental challenge due to the complex nature of intrinsic many-body correlations. A key strategy to address this challenge lies in advancing experimental methods that can directly probe and elucidate the underlying many-body correlations. In this perspective article, we discuss the theoretically proposed coincidence detection techniques, which are designed to directly measure two-body correlations in various particle-particle and particle-hole channels, with momentum, energy, and/or spatial resolution. We also explore the prospects of these coincidence detection techniques for future theoretical and experimental developments. The successful implementation and refinement of these coincidence detection techniques promise to deliver powerful new approaches for unraveling long-standing puzzles in strongly correlated electron systems, such as the enigmatic mechanism of unconventional superconductivity and the long-sought quantum spin liquids. Furthermore, these coincidence detection techniques will offer powerful new methods to investigate novel phenomena like itinerant magnetism and electronic nematicity in quantum materials.
Decisive experimental confirmation of the $U(1)$ quantum spin liquid phase in quantum spin ice remains an outstanding challenge. In this work, we propose stray-field magnetometry as a direct probe of the emergent photons -- the gapless excitation of the emergent electrodynamics in quantum spin ice. The emergent photons are transverse magnetization waves, which, in a finite sample, form discrete modes governed by one of two sets of natural boundary conditions: ``insulating'' or ``superconducting''. Considering cavity and thin film geometries, we find that the spectrum and spatial structure of the stray magnetic noise provide a sharp qualitative signature of the underlying electrodynamics. The predicted stray-field noise power lies comfortably within the detection range of present-day solid-state defect magnetometry.
Material scientists and condensed matter physicists have long been divided on the issue of choosing the conceptual framework for explaining why open-shell transition-metal oxides tend to be insulators, whereas otherwise successful theories such as DFT often predict them to be (false) metals. Strong correlation becomes the recommended medicine. We point out that strong correlation can be mitigated by allowing DFT to lower the energy by breaking structural, magnetic or dipolar symmetries. Such local motifs are observed experimentally by local probes beyond the 'average structure' determined by X-Ray diffraction. Observed broken symmetries can arise from slow fluctuations that persist over the observation time or longer. The surprising fact is that when symmetry breaking motifs are used as input to electronic structure calculations, false metals are converted into real insulators without the recommended medicine of strong correlation. Consistently, DFT calculations that show energy lowering symmetry breaking correct most cases where DFT, even with advanced exchange-correlation functionals, previously missed the correct metal vs insulator designation. Total energy calculations distinguish systems that support energy-lowering symmetry breaking from those that do not. This approach distinguishes between paramagnetic insulating and metallic phases and shows mass enhancement in Mott metals. The reason is that symmetry breaking removes many of the degeneracies that exist in a symmetry-unbroken system, reducing significantly the need for strong correlation. If one chooses to ignore symmetry breaking, the persistent degeneracies often call for strong correlation treatment. Thus, symmetry breaking transforms strong to normal correlation and false metals to true insulators. This view sheds light on the historic controversy between Mott and Slater that still reverberates today.
The temperature dependence of the spontaneous magnetization of Ni2MnGa and other ferromagnets can be described in reduced coordinates by the superellipse equation using a single dimensionless parameter. This critical exponent parameter equals 2.4 for Ni2MnGa, 2.7 for nickel and cobalt, 3 for iron and 2.05 for gadolinium. Because reduced magnetization and reduced temperature enter the equation symmetrically, the MS(T) dependence can be measured only in the low-temperature range, from 0 to 0.5TC. The magnetization curve from 0.5TC to TC can then be obtained by interchanging reduced magnetization and temperature in the superellipse equation. In this way, the experimentally challenging task of measuring spontaneous magnetization near TC is avoided, as the behavior near TC is effectively determined from measurements performed near T = 0. The MS(T) dependence in a whole temperature range is fully determined by two parameters - the Curie temperature, TC and the critical exponent, n .
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.
We have studied the magnetic properties of clinoatacamite Cu$_2$Cl(OH)$_3$, the parent compound of the quantum spin liquid candidate herbertsmithite and a longstanding puzzle among frustrated quantum magnets. As we reveal using density-functional theory, clinoatacamite belongs to the class of distorted kagome antiferromagnets with the kagome plane being embedded into a low-symmetry crystal structure. By means of thermodynamic measurements, muon spin rotation/relaxation as well as neutron diffraction on single crystals, we find in zero magnetic field complex behavior below $T_\mathrm{I}$ = 18.1 K which unfolds in three temperature regions I-III. We propose this complexity in multicritical clinoatacamite to arise from the competition of antiferromagnetic ordering modes from the underconstrained manifold of modes, which can lead to a metamagnetic texture in zero field.
The coupling of atomic vibrations to electronic excitations - traditionally understood to be a source of energy loss in semiconductors - has recently been explored in photosynthetic light harvesting as a means to circumvent dissipation by harnessing quantum vibronic coherence. Motivated by recent photocurrent measurements of vibronic sidebands in WSe$_2$/MoSe$_2$ optoelectronic devices, we present a nonperturbative theoretical framework for phonon-assisted absorption in van der Waals heterostructures. Using a polaron transformation, a closed-form expression for the optical absorption spectrum at arbitrary temperatures is presented. Our model includes both intraband and interband electron-phonon coupling. Detailed analysis shows that the observed periodic sidebands originate from the strong coupling between interlayer excitons and nearly dispersionless optical phonon modes. Comparing two limiting cases - one involving only intraband couplings, and another incorporating coherent interband processes - we show that interband phonon-assisted transitions are needed to account for the observed data. Beyond enabling the direct estimation of vibronic coupling strengths from spectroscopic data, these findings have profound consequences for our understanding of optical and optoelectronic responses: coherent interband coupling of atomic vibrations to excitons is essential to quantifying photoresponse in transition metal dichalcogenide heterostructures.
Strong directional disorder in local magnetic moments coupled to a Chern insulator gives rise to topological phases that cannot be continuously connected to the clean limit and are therefore genuinely disorder-driven. We demonstrate this in a spinful Qi-Wu-Zhang model of a two-dimensional Chern insulator coupled to disordered classical spins of unit length. The topological phase diagram is computed numerically using two complementary approaches: twisted boundary conditions and the topological Hamiltonian technique. Our results show that strong disorder can act as a fundamental topological mechanism rather than merely a perturbation. For strong exchange coupling, tuning the mass parameter reveals a transition between phases with different Chern numbers $C$. Remarkably, this transition is driven by zeros, rather than poles, of the disorder-averaged Green's function crossing the chemical potential, and has no analogue in any clean system. We further identify a strong-coupling phase with $C = 0$ that is nonetheless topologically nontrivial, characterized by a distinct Chern number $C^{(\mathrm{S})} \neq 0$ over the manifold of classical spin configurations. This phase is also disorder-driven, as $C^{(\mathrm{S})} = 0$ in the clean limit.
Understanding how stick-slip dynamics manifests in diverse physical conditions is a crucial topic in tribology. Although it has been extensively studied in simple frictional configurations, the characterization of stick-slip behavior in complex assemblies is challenging. This work presents the first systematic investigation of stick-slip dynamics in a system with multiple contact surfaces undergoing friction amplification through conversion of traction forces into normal compression. Using interleaved paper blocks as a model system, we combine force measurements and image processing to characterize stick-slip events occurring when the two blocks are pulled apart at different detachment velocities. We find that both the peak force and the amplitude of the stick-slip events decrease along with the system's detachment. By combining a previously designed model for friction amplification and the stick-slip dynamics predicted by a simple frictional spring-block system, we link the observed behavior to the evolving normal compression within the assembly. Through force measurements and imaging, we extract the effective stiffness of the system from stick-slip events at low velocities and relate it to the system's normal compression. We then predict the observed decrease of the global stiffness as function of the detachment by considering the spatial distribution of normal forces within the assembly, which determines an effective number of sheets contributing to the system's mechanical response. Our findings reveal a non-trivial interplay between internal stress distribution and mechanical response mediated by frictional forces, with implications for granular materials, textiles, fibrous systems, and mechanical metamaterials.
Fuzzy sphere models conjecturally realize 3d CFTs in small systems of spinful fermions, but why they work so well is still not fully understood. Their Hamiltonians are built from electron density operators projected to the lowest Landau level. We analyze the Lie algebra generated by these density modes and its large-$s$ limits. Depending on how the limit is taken, the algebra approaches either the Girvin-MacDonald-Platzman algebra in a local planar limit or a semiclassical algebra for low-angular-momentum modes in a global commutative limit. With an additional restriction to a low-excitation sector above the paramagnetic state, the density modes become approximate harmonic oscillators. We also test whether the conformal algebra $so(3,2)$ can be realized directly by density modes. Such a representation exists only in the minimal two-electron system; its natural coproduct extension does not match the physical thermodynamic limit of a single growing fuzzy sphere.
We investigate the emergence of nontrivial topological phases in heterogeneous armchair honeycomb nanoribbons arising from the interplay between structural geometry and Rashba spin-orbit coupling (RSOC). The system consists of a central RSOC-active region sandwiched between two pristine segments, forming interfaces between topologically distinct phases. As the RSOC strength increases, interface states emerge and become localized at the junctions, exhibiting robustness against edge perturbations. For finite ribbon widths, the RSOC induces a closing and subsequent reopening of the bulk energy gap, signaling a topological phase transition without altering the underlying lattice geometry. These findings reveal a route to engineering tunable topological states through the cooperative effects of interfacial structure and spin-orbit interactions.
We investigate the singular behavior of information flow near the Hopf bifurcation point by analyzing the learning rate as a specific measure of information flow. We study the Brusselator, a model system exhibiting the Hopf bifurcation. We first numerically compute the learning rate in the stationary regime and find that it remains finite even in the deterministic limit, suggesting that the learning rate can be quantified in deterministic dynamics through probabilistic descriptions. Linear analysis accurately reproduces the numerical results in the stationary regime but fails near the bifurcation point. To overcome this limitation, we employ the singular perturbation method, well known in deterministic bifurcation theory, and carry out the corresponding calculation explicitly for a stochastic system described by a Langevin equation. This allows us to evaluate the learning rate near the bifurcation point. We then theoretically derive its non-smooth behavior in the deterministic limit. Our results demonstrate that changes in dynamical behavior are reflected in the learning rate and provide a basis for analyzing information processing in biochemical oscillations.
New types of crystal structures are discovered only rarely, and the artificial intelligence (AI) models now reshaping materials discovery have so far produced new chemical compositions within known structural families rather than genuinely new structures. We report GdNiSn4 and LuNiSn4, intermetallics that adopt a previously unreported structure type, found not by computation but by exploratory synthesis. Single-crystal diffraction shows that the structure is an intergrowth of two known structural units. We then use this system as a benchmark for two leading generative models, MatterGen and DiffCSP++. For DiffCSP++, the benchmark is performed in its crystallographically constrained setting, using the required space-group and Wyckoff-position inputs. Under our sampling budget, neither model recovers the experimentally reported monoclinic structure within the structural-matching tolerance. The generated structures are evaluated without further structural relaxation using the nonmagnetic analog LuNiSn4, where we rule out 4f magnetism as the cause. Because the new structure is built from familiar building blocks, it should be derivable. We argue that encoding chemical reasoning, such as the stacking of known motifs, is a concrete path toward AI that can discover structurally novel materials.
We extract spin-valley physics in the anomalous Hall and Nernst responses of the spin-orbit coupled $\alpha$-$T_3$ system in the presence of a time-reversal symmetry breaking staggered magnetization. We show that the interplay between the SOI, magnetization, and a model parameter $\alpha$ for the $\alpha$-$T_3$ lattice enables efficient tuning of spin- and valley-dependent Hall and Nernst signals. The spin-valley physics of the Hall and Nernst responses in the absence and presence of the magnetization are well explained. The peak-dip features of the Nernst responses are also understood from the corresponding Hall responses through the Mott relation. We find that the magnetization introduces highly tunable spin and valley polarizations, which are calculated from the spin- and valley-resolved Nernst conductivities. It is shown that both the spin and valley polarizations can attain nearly complete polarization over extended regions of the parameter space.
Measuring the mechanical response of liquid interfaces without direct contact remains a major experimental challenge, particularly in liquid-liquid systems where no solid reference exists. Here, we develop a frequency-modulation atomic force microscopy (FM-AFM) method that probes liquid interfaces through the hydrodynamic confinement of a viscous liquid film between an oscillating probe and the interface. This approach provides simultaneous access to the in-phase and dissipative components of the effective mechanical response under confinement. The method is first validated on a liquid-solid interface, where the measured confinement thickness and the evolution of the mechanical impedance are consistent with elastohydrodynamic theory over nearly one decade in elastic modulus. It is then applied to a liquid-liquid interface, which exhibits a predominantly viscous response with a finite in-phase contribution and a confinement thickness in the micrometric range. These results show that hydrodynamic confinement provides a sensitive, non-contact approach to compare the mechanical response of soft and liquid interfaces, and opens new perspectives for investigating complex and highly deformable systems such as polymer films, biological membranes, and rafts of nanoparticles.
Two-dimensional colloidal nanoplatelets (NPLs) with atomically defined thickness exhibit unique physical properties, yet understanding their formation mechanism and assembly remains essential for tuning their collective behavior. We report an optimized synthesis of triangular cerium-based NPLs with narrow size and shape distributions via thermal decomposition of cerium trifluoroacetate. Combining X-ray diffraction, XPS, and high-resolution STEM, we show that the expected CeF3 NPL structure undergoes partial oxidation, yielding an oxyfluoride composition CeOxFy. Beyond their composition, we investigate how these oleic acid-capped NPLs organize in solution and at interfaces. The choice of solvent governs both the solution-phase organization and the resulting superstructures formed upon evaporation at the liquid--air interface. In solvents that promote face-to-face stacking in solution, evaporation produces films organized into columnar assemblies tens of micrometers long, with the NPL planes oriented perpendicular to the interface. In contrast, solvents in which NPLs remain individually dispersed yield extended hexagonally ordered superlattices with edge-to-edge stacking spanning several micrometers, where the NPLs lie parallel to the interface in an edge-to-edge arrangement. These results highlight that solvent-mediated interactions and pre-existing organization in solution are decisive factors in determining the outcome of evaporative self-assembly of colloidal nanocrystals.
We show that, for a one - dimensional open quantum system of ultracold atoms trapped in an array of harmonic potentials that is weakly coupled to a background Bose - Einstein Condensate (BEC), a unique steady state emerges at either of the two edges of the array due to the combined effects of excitation via lasers of these ultracold atoms and decay back to their initial energy levels via emission of excitations into the BEC, acting as an excitation reservoir. We then solve, both numerically and analytically, for the steady states of the master equation that describes the dynamics of this open quantum system, and show that these steady states occur at the edges of the array of harmonic potentials trapping these atoms. Using the open quantum system's master equation to evolve it numerically over time, we demonstrate that these steady states at the edge of the system will emerge regardless of the number of atoms trapped in each of the harmonic potentials in the array, establishing both their existence and uniqueness, and demonstrating that this driven trapped ultracold atom system coupled to a BEC is a topological material whose topological invariant is characterized by its master equation.
We investigate the anatomy and complexity of quantum states in Krylov space, in the ergodic and many-body localised (MBL) phases of a disordered, interacting spin chain. The Krylov basis generated by the Hamiltonian from an initial state provides a representation in which the spread of the time-evolving state constitutes a basis-optimised measure of complexity. We show that the long-time Krylov spread complexity sharply distinguishes the two phases. In the ergodic regime, the infinite-time complexity scales linearly with the Fock-space dimension, indicating that the state spreads over a finite fraction of the Krylov chain. By contrast, it grows sublinearly in the MBL regime, implying that the long-time state occupies only a vanishing fraction of the chain. Further, the profile of the infinite-time state along the Krylov chain exhibits a stretched-exponential decay in the MBL regime. This behaviour reflects a broad distribution of decay lengthscales, associated with different eigenstates contributing to the long-time state. Consistently, a large-deviation analysis of the statistics of eigenstate spread complexities shows that while the ergodic regime receives contributions from almost all eigenstates, the complexity in the MBL regime is dominated by a vanishing fraction of eigenstates, which have anomalously large complexity relative to the typical ones.
Continuous control over lattice geometry, when combined with long-range interactions, offers a powerful yet underexplored tool to generate highly frustrated quantum spin systems. By considering long-range dipolar antiferromagnetic interactions on a breathed Kagome lattice, we demonstrate how these tools can be leveraged to stabilize a chiral spin liquid. We support this prediction with large-scale density-matrix renormalization group calculations and explore the surrounding phase diagram, identifying a route to adiabatic preparation via a locally varying magnetic field. At the same time, we identify the relevant low-energy degrees of freedom in each unit cell, providing a complementary language to study the chiral spin liquid. Finally, we carefully analyze its stability and signatures in finite-sized clusters, proposing direct, experimentally viable measurements of the chiral edge mode in both Rydberg atom and ultracold polar molecule arrays.
The square-planar layered nickelates R$_{n+1}$Ni$_n$O$_{2n+2}$ (R= Nd, $n=4-7$) have been recently shown to be superconducting without the need for chemical doping or pressure. Here, we examine the electronic structure of the analog higher-order square-planar palladates -- that have not yet been synthesized -- via \textit{ab initio} calculations. These layered palladates exhibit larger bandwidths, an increased $p-d$ hybridization, and less interference from R-$d$ bands at the Fermi level. These characteristics make them closer cuprate analogs and promising candidates to pursue in the context of unconventional superconductivity.
Machine learning interatomic potentials (MLIPs) with broad chemical flexibility are essential for atomistic simulations of compositionally complex alloys, but their deployment in large-scale molecular dynamics requires a balance among accuracy, efficiency, stability, transferability, and uncertainty quantification. Here, we benchmark two chemically scalable MLIP frameworks, neuroevolution potential (NEP) and graph atomic cluster expansion (GRACE), for 16 elemental metals and their multicomponent alloys. GRACE-FS shows higher training efficiency and generally better average accuracy, chemical transferability, and finite-temperature robustness, whereas UNEP-v1 provides substantially higher inference speed and remains competitive in selected stress and large-error metrics. We further show that chemical transferability is closely linked to high-temperature MD stability in highly multicomponent environments and that ensemble-based uncertainty provides a more reliable error indicator than D-optimality for the heterogeneous systems considered here. Finally, three-million-atom shock simulations demonstrate that UNEP-v1, combined with ensemble uncertainty, enables uncertainty-aware simulations under extreme dynamic conditions, yielding robust global spall-strength predictions while revealing model sensitivity in local damage pathways. These results provide practical guidelines for selecting and deploying MLIPs in large-scale simulations of multicomponent alloys.
We study nonreciprocal current response in noncentrosymmetric crystals under time-reversal symmetry. We reveal that the nonreciprocal current appears in a dissipative system through interband processes. We derive a formula for the nonreciprocal current using the Green's function technique. The nonreciprocal current of the present mechanism turns out to be of $O(1/\tau)$ ($\tau$: the lifetime of Bloch electrons) and arises from the shift of the electron wave packet during the interband processes which has a geometric origin. We present a numerical simulation of the nonreciprocal current in the one-dimensional Rice-Mele model and give its order estimation for nonmagnetic polar semiconductors.
There has been much recent interest devoted to a class of frustrated one-dimensional statistical mechanics lattice models which exhibit sharp thermodynamics. In this work, we study an extension of one of these models to two dimensions; the Ising model on a decorated bilayer lattice. We show that the pseudo-transitions of the one-dimensional models become a real first order phase transition in this two-dimensional analogue. Moreover, the pseudo-transition is found to still exist above a bi-critical point. This can be characterised as a Widom line, which allows a re-interpretation of the physics in the previously studied one-dimensional models.
From ants to caterpillars, many biological systems composed of simple builders have been observed to construct complex, adaptive, and functional architectures without requiring complete access to the global state of the structure. In these systems, global function emerges from the accumulation of local actions, as individual builders follow local rules to manipulate, modify, and deposit material in response to local environmental stimuli. This raises the question of how local rules can be selected for simple builders so that desired functions reliably emerge as a natural consequence of their interactions with their environment. We propose a systematic framework for determining such rules and demonstrate its effectiveness using a minimal model inspired by tent caterpillars and their silk networks. Using our framework, we show that local rules can be designed so that when simple builders follow them during network construction, the values of several emergent properties including area coverage, mean line density, and front curvature can be directed toward specific target values. We use a statistical approach to determine how rules can be modified to increase the probability that a useful local change occurs, the magnitude of that change, or both, so that the target property can be achieved reliably. Our results demonstrate a general strategy for linking local rules to emergent global properties in complex structures. This strategy offers a step toward fabricating functional structures using simple builders in uncertain environments where global information, precise control, and sustained human supervision are infeasible.
We develop a geometric formulation of thermodynamic response in interacting spin systems and apply it to the two-dimensional Ising model. Treating inverse temperature and magnetic field as coordinates on a thermodynamic control manifold, we show that the mixed response field $\Omega_{\beta h} = -N\,\mathrm{cov}(m,e)$ arises naturally as a curvature-like quantity that measures correlations between magnetic and energetic fluctuations. Monte Carlo simulations reveal a strongly localized mixed-response ridge that emerges from the critical point and extends into the finite-field crossover regime. Analysis of the susceptibility, specific heat, and mixed-response maxima demonstrates distinct scaling behavior in the magnetic, energetic, and mixed fluctuation sectors. When represented in normalized response coordinates, trajectories obtained at different magnetic fields collapse onto a common curve, indicating that the evolution of the mixed response is strongly constrained by the susceptibility. This collapse suggests the emergence of a low-dimensional response manifold and points toward a geometric description of critical crossover based on relations among response functions rather than equilibrium states alone. The framework establishes a direct connection between fluctuation correlations, critical scaling, and geometric thermodynamic response.
We show that all existing methods quantifying rotational motion in molecular fluids eventually have severe limitations in systems undergoing complex rotational motion characterized by slow, heterogeneous, or intermittent dynamics. This impacts in particular the study of rotational dynamics in molecular supercooled liquids near their glass transition, as well as discussions of the decoupling between rotational and translational motion and violations of the Debye-Stokes-Einstein relation. We present a brief overview of existing methods and explain why none of them can accurately capture the evolution of rotational dynamics from a diffusive fluid to an arrested solid, thus resolving inconsistent literature results. We then introduce an empirical method that efficiently solves all issues. We benchmark our method devising a family of continuous time random walk models for rotational dynamics. Our method correctly quantifies the statistics of free and caged rotational motion, as well as non-Gaussian and non-Fickian rotational dynamics, and should allow a better characterization of dynamic heterogeneity in the rotational motion of supercooled molecular fluids.
We investigate scissors modes in nonlinear systems with arbitrary power-law dependence of the nonlinear term. Through analytical derivation, we establish a general expression demonstrating that, in the Thomas-Fermi regime, the frequency of the scissors mode is independent of the specific form of the nonlinearity. We conclude that the scissors mode is a shear mode that does not probe the compressibility of the system, which depends on nonlinearity. To validate our findings, we perform numerical simulations of experimentally relevant Lee-Huang-Yang (LHY) systems. Our results illustrate the transition of the scissors mode frequency from the non-interacting to the strongly interacting (Thomas-Fermi) regime. Finally, we demonstrate that the scissors mode frequency remains clearly identifiable even under strong quenches, which should facilitate the experimental observation of our findings.
Topologically ordered states are characterized by topological quantities like the Hall conductance, topological entanglement entropy, and chiral central charge. Techniques based on the modular Hamiltonian have recently been developed to extract these quantities from a wavefunction. Here, we consider a lattice model of fractional quantum Hall states, a prototypical example of topologically ordered systems, and extract their topological content using the modular Hamiltonian-based methods. We consider the Laughlin and Moore-Read states and show that the extracted topological quantum numbers converge to their expected results. As expected, the convergence is slower when the correlation length of the state is longer. Generally, our results show that a reliable extraction of topological content through modular methods requires the usage of large systems.
The emergence of data-driven computational materials science offers unprecedented opportunities to explore complex material landscapes, complementing experimental research with the discovery of novel compounds. To enable these developments, it is essential to establish robust, reliable, and easy-to-use software supporting workflow automation and large dataset processing. Herein, we introduce the Automated Ab Initio Materials Modeling and Data Analysis Toolkit (aim2dat), a Python package offering a user-friendly interface to generate and handle big data, design high-throughput workflows based on density functional theory calculations, and analyze the output. Its key features include interfaces to online databases for structure query and analysis, high-throughput screening routines, and seamless integration of machine learning models. The capabilities of aim2dat are showcased with a variety of use-cases, ranging from photocathode materials to metal-organic frameworks.
Strongly interacting electrons in clean two-dimensional devices are theorized to exhibit many distinct transport regimes, such as ballistic, hydrodynamic, or diffusive. Realistic samples often lie in crossover regimes between these idealized limits. We show how a single experiment on a multiterminal device can distinguish these regimes and constrain the relevant scattering rates without space-resolved imaging. Using a linearized Boltzmann model in a five-terminal geometry, we find that current partition among the drain contacts diagnoses the ballistic-hydrodynamic-Ohmic crossover and allows extraction of momentum-relaxing and momentum-conserving scattering rates in the crossover regime. The same geometry also exhibits clear signatures of the tomographic regime, potentially allowing for a quantitative discrimination between viscous and tomographic flow in experiments. Our results demonstrate that multiterminal devices are a simpler experimental route to characterize transport regimes in electron liquids, relative to space-resolved imaging experiments.
Nitinol technology, besides utilizing the functional thermomechanical properties derived from the B2 cubic to B19' monoclinic martensitic transformation, also exploits the excellent plastic deformability of NiTi in the martensite state. It originates from the unique mechanism of plastic deformation of the B19' martensite by kwinking involving dislocation slip based kinking assisted by deformation twinning. Although the mechanism of plastic deformation of martensite by kwinking was revealed only very recently, various unusual phenomena that can only be rationalized by kwinking, have been reported in literature in the last 50 years. These phenomena include: 1) cold working with a high degree of reduction without introducing cracks, 2) excellent plastic deformability in the martensite state (plastic deformation up to~80% strain at stresses >1GPa), 3) refinement of austenitic microstructure to a quasi-amorphous state by tensile deformation, 4) observation of high density of {114} deformation bands in austenitic microstructures, 5) systematic ruptures of strengthened NiTi wires in tensile tests via necking at the onset of plastic yielding, 6) localized plastic deformation in tensile tests via propagation of Lüders band fronts with very large localized strain (~40%), 7) unusually long upper stress plateaus in superelastic tensile tests (>8% strain), 8) large plastic strains (> 20 %) generated in a single closed-loop cooling/heating cycle under constant stress, 9) shape setting of already annealed NiTi by heating under external constraint. Finally, we discuss how kwinking deformation was considered in constitutive modelling of thermomechanical behaviors of NiTi and, particularly, what is the role of the kwinking deformation in NiTi technology.
We show that the complete knowledge of the non-Markovian island-state dynamics of a floating Majorana island does not, in general, determine the thermodynamic transport statistics measured in the leads. We demonstrate this statement in a Coulomb-blockaded island with $M$ Majorana zero modes coupled to structured reservoirs. In the cotunneling regime, a Schrieffer-Wolff transformation gives reservoir-assisted transitions generated by Majorana bilinears. After the reservoirs are traced out, the island state determines the memory kernel associated with each bilinear, and this is enough to predict all island-state observables within the cotunneling approximation. It is not enough to determine which lead or detector channel supplied the electron, absorbed the electron, or carried the corresponding energy exchange. This is a genuine loss of thermodynamic information, not an error in the island equation. We formulate the result as a thermodynamic completeness criterion: an island memory equation determines a transport observable only when that observable is constant over all assignments of reservoir channels that give the same island memory kernel. The criterion gives a measurable prediction. Two structured-reservoir Majorana devices can have identical island-state tomography and relaxation, but different charge noise measured separately in the leads, heat noise, and mixed charge-energy correlations. The geometry of the projection from reservoir records to island kernels and the topology of the network of tunnel contacts identify which transport information is absent from island-state dynamics.
We derive the exact evolution equation for the probability density function of particle displacements generated by arbitrary Gaussian velocity processes, when neither Markovianity and nor stationarity are assumed. Starting from the characteristic function of the density of the position, we construct a systematic hierarchy of equations based on Wick's theorem, in which the dynamics is governed by sums of geometrically connected Wick contractions. This approach yields a closed non-Markovian diffusion equation that generalizes the Fokker-Planck description and preserves Gaussianity only in the infinite-order limit.
In unconventional superconductors, the microscopic form of magnetic correlations is crucial for identifying the origin of spin fluctuations and the associated pairing interaction. FeSe superconducts without chemical doping and shows no static long-range magnetic order, yet inelastic neutron scattering reveals a strong stripe response, finite linewidths, and reproducible Neel-side spectral weight. Here we propose a phase-slip residual-order spin state (ROSS). Stripe, Neel, pair-checkerboard, and staggered trimer antiferromagnetic states can be unified as symmetric phase-slip derivatives of a stripe background, while more general asymmetric phase slips form lower-energy configurations and reconstruct the spin structure factor S(q) within a finite coherence length. The ROSS therefore reconciles the absence of static magnetic order with strong spin excitations, provides a microscopic picture for the origin of spin fluctuations in FeSe, and establishes a magnetic basis for understanding pairing in unconventional superconducting systems with similar magnetic fingerprints.
Reconfigurable nonlinear-processing units (RNPUs) are multi-terminal electronic devices that act as computational primitives, exploiting intrinsic nonlinear charge transport combined with electrostatic tunability. Silicon-based realizations provide a scalable and technologically relevant platform toward unconventional computing hardware, yet the physical origin of their room-temperature nonlinearity has remained unresolved. Here, we demonstrate room-temperature operation in both boron- and arsenic-doped silicon RNPUs and show, using temperature- and length-dependent measurements supported by TCAD simulations, that charge transport is governed by space-charge effects. Interface trap states strongly suppress the equilibrium carrier density, while the functional nonlinearity arises from the competition between injected carriers and ionized dopants. The resulting transport evolves from Ohmic to strongly nonlinear and space-charge-limited current regimes, as evidenced by voltage and length scaling. The opposite-polarity background doping is shown to control the onset and strength of the nonlinearity, producing behavior beyond the quadratic dependence of the classical Mott-Gurney law. Agreement between experiment and simulation supports that the spatial distribution of injected carriers and fixed charge governs the electric-field profile and device response. These results establish a space-charge-based framework for RNPUs that does not require disorder or hopping transport, and provide design guidelines for scalable, CMOS-compatible nonlinear computing hardware.
Ultrafast dynamics of collective excitations in superfluids remains largely unexplored beyond the roton region of the Landau excitation spectrum, despite the importance of such dynamics for understanding nonequilibrium processes in these systems. Here, we employ ultrafast coherent control with sequences of femtosecond pulses to perform spectroscopy of multiple quasiparticles in superfluid helium far from equilibrium. By measuring the time-resolved optical birefringence, we track the nonequilibrium dynamics of quasiparticle pairs associated with rotons, maxons and the Pitaevskii plateau region. The spectral lineshape of the roton peak is explained by an ab initio theoretical analysis of the roton-roton interaction. We also reveal strong energy shifts and short lifetimes of both maxon and Pitaevskii-plateau pairs, as well as an influence of the quasiparticle effective mass on the phase of their coherent response to laser pulses. These results demonstrate the ability to extract previously inaccessible information about collective excitations in a strongly interacting quantum fluid by probing its nonequilibrium dynamics on picosecond and sub-picosecond timescales.
The understanding of quantum many-body states in twisted bilayer graphene at the magic angle has been greatly improved both in experiment and in theory. However, away from the exactly solvable chiral limit and the sign-problem-free charge neutrality point, the calculation of the ground state properties and the identification of the phase diagram are challenging due to the exponential increase in the complexity, which has rendered explanations of experimentally observed insulating and superconducting phases restricted largely to the perturbative level. Here we focus on the filling factors $\nu = \pm2$ away from charge neutrality and address the question of the strain dependence of the interacting ground state. We adjust our continuous field momentum-space quantum Monte Carlo (QMC) method to treat the sign problem approximately, and perform a quantum many-body study together with exact diagonalization (ED) and Hartree-Fock (HF) mean field. Leveraging this combined protocol of QMC, ED, and HF, we investigate the strain-tuned transition from the Kramers intervalley coherent (KIVC) state to the incommensurate Kekulé spiral state (IKS). Our computational protocol sheds light on the KIVC-IKS transition in a projected correlated flat-band setting, and opens the door for further understanding of the rich phase diagram of twisted bilayer graphene and other strongly-correlated flat-band systems.
Understanding the nature of quasihole excitations, i.e., anyons that have fractional charge and statistics, has been a challenging problem in condensed matter physics. Our theoretical approach to this problem has been to consider a quantum dot, containing a few charged particles, coupled to the incompressible fluid. It has provided important insights into the energetics of Laughlin quasiholes. Photoluminescence (PL) spectroscopy studies of this system have been able to probe these quasiholes that have confirmed our expectations. Turning to the Pfaffian state, we now observe that such a system is also able to provide valuable information about the Pfaffian quasiholes, viz., the energy dispersion, the charge density distribution and the quasihole creation energy. The energy dispersion of e/4 quasiholes derived here, clearly reflect the interaction between the quantum dot and the incompressible Pfaffian state. PL spectroscopy experiments on the 5/2 Pfaffian-Laughlin state could perhaps shed light on the energetics of these elusive quasiparticles.
Binding energy, which quantifies pair formation, is a key factor in the emergence of superconductivity. Here, we show that even when multiple spins are complexly coupled, hole-doped systems, which can be mapped onto the universal hardcore boson model in the strong-binding-energy limit, exhibit promising signatures of superconductivity. We demonstrate this theory analytically and numerically in the double Kondo lattice model. Using the density-matrix renormalization group method, we show that a pairing state is maintained via a crossover even for parameters away from the strong-coupling regime. Additionally, we find that once binding energies are sufficiently generated, pair correlations develop similarly regardless of the details of local spin correlations. Our findings provide useful guidelines for research on superconductivity.
We propose a method of estimating and parametrising the proportion of open and closed cells in a porous material based on measuring Betti numbers on the structures. We define a cell-openness index {\tau} which can be used to complement the proportion of open-celled volume reported by gas pycnometry, which is the current gold standard for pore type characterization. We discuss in what types of structures mismatches between the two measures can occur and how such mismatches convey additional information about the structure. We demonstrate examples of significant correlations between {\tau} and measurable physical quantities in both numerical and experimental structures. We also discuss how Betti curves can be used to estimate characteristic feature sizes in porous structures.
The superfluid-insulator transition in systems of lattice bosons is usually analyzed in the framework of the Bose-Hubbard model, and has been extensively studied by theory and simulations. Less attention has been paid to the remnants of the transition in truncated lattices, with or without periodic boundary conditions. Here we consider the hard-core limit of the extended Bose-Hubbard model on small square and triangular grids -- i.e., sections of the square and triangular lattices containing up to 13 sites. By mapping out the zero-temperature phase diagram through exact diagonalization, we find ground-state characteristics that are markedly different from those emerging in the thermodynamic limit, together with similarities. The dichotomy between superfluid-like and insulating-like behavior is then investigated in two-dimensional systems of a few interacting bosons in the continuum, subject to confining and optical-lattice potentials mimicking the $3\times 3$ square grid. Using path-integral Monte Carlo simulations, we compute kinetic and potential energies, as well as superfluidity and exchange-cycle statistics, finding hints of Bose-Hubbard behavior even in systems of just five particles.
One of the most striking predictions in cavity quantum electrodynamics is the condensation of photons into a macroscopically populated ground state, the so-called superradiant phase transition (SRPT). SRPTs are theorized to occur in light-matter coupled systems above a critical coupling strength, yet have not been experimentally realized in equilibrium. On the contrary, the very existence of SRPTs has been largely disputed by No-Go theorems. In cavity-coupled electronic systems with Dirac dispersion, the diamagnetic $\vec{A}^2$-term crucial to No-go theorems is not present at leading order, making graphene Landau level transitions ultrastrongly coupled to terahertz cavities good candidates for SRPTs. In this work, we present the first terahertz spectroscopic measurements of an hBN-encapsulated monolayer graphene flake coupled to a highly sub-wavelength resonator mode. By tuning the graphene carrier density, we drive the resulting Landau polaritons into the ultrastrong coupling regime, with the normalized coupling reaching $\approx 40 \%$, approaching criticality. In this regime, the continuous SRPT would lead to a unique spectroscopic polariton softening, which we consistently rule out. The full polariton dispersion is instead quantitatively reproduced by a Hopfield Hamiltonian using a quasistatic near-field model that accounts for the sub-wavelength character of the cavity.
We use finite group topological lattice gauge theory, also known as the quantum double model, as a lens to explore a notion of topological order enriched by a non-invertible symmetry. For invertible symmetry enriched topological order, there is an established axiomatisation in terms of a G-crossed braided fusion category. We lay the foundations for a generalisation of this notion. By condensing an arbitrary algebra of charges in a quantum double model, we demonstrate that the category of localised excitations in the resulting theory forms a hypergroup-graded extension of the category of deconfined excitations. For every element in the hypergroup, the associated domain wall acts in a typically non-invertible way on these localised excitations. Both this action and the monoidal structure are compatible with the hypergroup grading. The actual categorical action is encoded in a Hopf monad on the category of localised excitations, and gauging the non-invertible symmetry amounts to computing the category of modules over this Hopf monad. Finally, we outline how this framework naturally extends to theories obtained by condensing algebras in a generic string-net model.
Active fluids generate motion and stress internally, but in living systems this activity is often regulated by environmental fields that the organisms consume or produce. Here we show that oxygen gradients organise dense suspensions of the flagellated microswimmer \textit{Euglena gracilis} and trigger an active interfacial instability. In circular chambers open to air at the periphery, oxygen exchange and cellular consumption generate a radial chemical gradient. Starting from an initially homogeneous suspension, cells spontaneously localise into a dense annular band through oxygen-dependent motility and bidirectional oxytaxis. This oxytactically formed ring then deforms and undergoes collective azimuthal motion, rotating as a long-lived corona of protrusions. We reproduce this sequence with an oxygen-coupled polar active-fluid model in which oxygen regulates both cell reorientation and motility, while dipolar active stresses drive the deformation and flow of the dense interface. The simulations show that oxygen taxis creates and positions the annular active interface, whereas the subsequent corona is an activity-driven interfacial instability. Our results reveal how a self-generated chemical gradient can position and activate a living fluid, providing a route to environmental control of active-matter flows and interfaces.
Strontium ruthenate (Sr$_2$RuO$_4$, SRO) has been the subject of intense research as a model quasi-two-dimensional metal with strong electronic correlations and potential exotic multi-component superconductor. Yet the nature of the superconducting state and its emergence remain debated, despite highly detailed knowledge of the normal-state electronic properties. Here we use diffuse neutron and x-ray scattering to uncover self-organized structural fluctuations on the picosecond timescale in SRO. We show that these nanoscale correlations do not originate from extrinsic disorder but rather involve cooperative displacements of oxygen atoms in the quintessential RuO$_2$ planes. Moreover, the observed displacement pattern is consistent with distortions due to incipient orbital order that we obtain in first-principles calculations, which suggests that orbital effects could play a pivotal role in the physics of SRO. Similar dynamic correlations may play a role in the physical properties of a wide range of prominent oxides with closely-related lamellar structures, such as the cuprates and nickelates.
We consider a wide class of $2D$ tight - binding models of solid state physics. These models are, in the most general case, non - homogeneous. The topological invariant ${\cal N}_3$ responsible for the quantization of the Hall conductivity, for the specific case of the integer quantum Hall effect in $2D$, is expressed through the Wigner transformation of the two-point electron Matsubara Green function. We express this invariant as a pairing of the element of the $K^{-1}$ group (generated by the Green function) with the specific element of the cyclic cohomology group $HC^3$. According to a set of local index theorems the values of ${\cal N}_3$ can be shown to be integer for a limited class of tight - binding models.
The physics of active matter, wherein constituent particles consume energy to generate autonomous motion, has revolutionized non-equilibrium statistical mechanics. While a large body of work has successfully elucidated the behavior of dilute active systems, the dense regime -- characterized by ``active glasses and active solids'' -- presents profound challenges that defy conventional theoretical frameworks. Recent observations reveal two striking features in these dense systems: an apparent enhancement of Mermin-Wagner-Hohenberg (MWH) fluctuations leading to anomalous long-wavelength density fluctuations, and a remarkable correspondence between activity-induced annealing and annealing via oscillatory shear. In this perspective article, we propose a novel approach toward a deeper understanding of dense active matter: by developing active Hamiltonian models as equilibrium reference frameworks, we map out pathways toward non-equilibrium active systems. This strategy allows us to elucidate both the correspondence between driven and active systems and the enhanced MWH fluctuations, which likely arise from a strong coupling between spatially random active forces and long-wavelength density (phonon) modes. We outline a comprehensive roadmap employing complementary approaches, including the active Hamiltonian formalism, comparative studies of oscillatory shear in active and passive solids, and investigations of chiral active matter. Establishing this activity-oscillatory shear correspondence across diverse systems is essential to demonstrate its universality, reveal the underlying large-scale emergent physics, and place our hypothesis on a firmer theoretical ground.
Complex neural quantum states are difficult to optimize when their wavefunction phase carries gauge, chiral, fermionic, or topological structure. We show that the major failure mode is not only ansatz expressivity, but the Monte Carlo estimator used to learn this phase. For separated amplitude-phase states, differentiating the local energy at fixed samples gives a different unbiased estimator of the same variational Monte Carlo phase force, without changing the objective. We further extend the construction to coupled two-head networks by keeping the amplitude-gradient contribution and applying the direct derivative only to the phase path. An adaptive minimum-variance mixture interpolates between standard and direct estimators during training. Across flux ladders, chiral chains, two-dimensional flux cylinders, an interacting fermion ladder, shared-network controls, and a fractional quantum Hall benchmark, the resulting estimators reduce phase-gradient variance, suppress seed failures, and often move multi-percent standard-gradient plateaus to sub-percent accuracy.
Anderson localization has evolved far beyond the conventional dichotomy between extended and localized states. Modern localization theory predicts a complete transport hierarchy comprising extended, critical, and localized phases together with all coexistence phases among them, forming a seven-phase Anderson-localization landscape. Despite its fundamental importance, this hierarchy has never been experimentally realized within a single system. Here we realize the complete seven-phase Anderson-localization landscape in a one-dimensional Floquet photonic lattice. By engineering quasiperiodic hopping profiles containing inhomogeneously distributed hopping zeros, we generate critical states and enable their coexistence with extended and localized sectors. The resulting transport regimes are directly resolved through their distinct spatiotemporal dynamics, including ballistic expansion, confined critical oscillations, and persistent localization. We observe all seven phases, including the elusive triply coexisting extended-critical-localized phase, and experimentally track the phase transitions connecting them. Our results establish the first complete experimental map of the Anderson-localization landscape and provide a unified platform for investigating mobility edges, multifractality, and programmable coherent transport.
We propose a heuristic model of underscreening phenomenon in high density Coulomb systems, such as concentrated electrolytes and electron hole conglomerates under ultra high dose rate (UHDR) radiation in biological tissues. It explains the data on screening length $L$ increasing with charge particle concentration and offers additional insights in understanding the conductivity and reduction potential of concentrated electrolytes. Also, it validates our current understanding of the FLASH radiation treatment of tumors (FLASH-RT) perceived as an analogous system. The underlying physics is that mutual binding creates diffusion barriers which suppress the concentration of mobile particles thus increasing the screening length. Also, they slow down the rates of chemical reactions responsible for generation of biologically active radicals which explains the sparing effect observed under UHDR.
Pyroelectric energy conversion offers a route for harvesting time-dependent thermalfluctuations that are abundant in natural and technological environments. Twodimensional ferroelectrics are particularly attractive for this purpose because reduced dimensionality enables ultrathin, mechanically compliant device architectures. Here, we demonstrate direct nanoscale pyroelectric characterization of an out-of-plane van der Waals nanogenerator based on CuInP2S6 (CIPS) encapsulated between few-layer graphene electrodes. A scanning thermal microscopy (SThM) probe is employed as a localized nanoscale heat source while the electrically generated response is measured in situ through the device electrodes. Harmonic detection isolates the pyroelectric signal from parasitic first-harmonic electromechanical contributions, while finite-element thermal modeling combined with probe calibration enables direct determination of the local pyroelectric coefficient from the measured electrical response. Beyond quantitative characterization, the spatially resolved measurements directly identify electrically inactive regions associated with device defects, revealing local performance-limiting features that remain hidden in conventional spatially averaged pyroelectric measurements. The presented approach establishes a versatile platform for quantitative nanoscale pyroelectric characterization and the optimization of van der Waals pyroelectric devices.
We investigate magnetotransport in a van der Waals heterostructure composed of monolayer graphene and the insulating helical antiferromagnet nickel iodide (NiI$_2$). While NiI$_2$ is highly resistive and thus poorly suited for direct transport measurements, we demonstrate that magnetotransport in an adjacent graphene layer provides an electrical readout of magnetic-state-dependent interfacial behavior. Most notably, first-harmonic longitudinal magnetoresistance under in-plane magnetic fields exhibits large, anisotropic low-field peaks that are absent from a monolayer graphene/h-BN control device and are suppressed above the multiferroic transition temperature of NiI$_2$. Temperature-dependent harmonic measurements provide complementary evidence: the second-harmonic resistance shows the clearest nonlinear contrast relative to the control device, while the third harmonic contains a larger generic nonlinear and thermal background that is nevertheless modified in the heterostructure. These results demonstrate that graphene-based transport measurements offer a sensitive, non-invasive probe of magnetic phase behavior in electrically insulating van der Waals magnets, opening routes toward spintronic devices based on insulating vdW multiferroics.
The hyperbolic mode (HM) refers to a polariton mode in a polar insulator where the dielectric function is negative in some direction of propagation. Within a frequency window the light occupies a greatly expanded region in momentum space. The HM in hexagonal Boron Nitride (hBN) has been under intense study and we consider placing a metal directly on top of hBN and ask whether its physical properties can be strongly affected. While the problem resembles superficially the electron phonon coupling problem, there are important differences. Due to the longitudinal nature of the HM mode the coupling is driven by time dependent charge fluctuations which results in a coupling that strongly increases with the energy difference of the initial and final states. We find a significant frequency and momentum dependence of the self energy which allows us to identify the dimensionless coupling constant $\lambda_0$ that controls this effect. There is a suppression of the quasi-particle weight but it turns out that the leading correction to the velocity renormalization is canceled. We compute the single particle spectral function which shows a side band that can be measured experimentally. The virtual exchange of HM leads to a repulsive interaction which is ineffective to leading order because of the energy dependence. We are motivated to seek pairing by going to second order. Unfortunately we find that the leading contributions exactly cancel. This cancellation is not an accident and we give an explanation of why this cancellation would take place.
Neural-network quantum states (NQS) provide a flexible nonlinear representation of quantum many-body wavefunctions, but their efficiency depends sensitively on whether the architecture reflects the sign structure and constrained Hilbert space of the target state. In this work, we propose a solvable-point-guided strategy: design the architecture at an exactly solvable point where the correct local rules can be read off, then refine to the non-exact regime by enlarging only the kernel size and hidden dimension. The strategy is built from four physics-motivated designs: a stride-matched local-rule convolution, geometric pooling, a sign-resolving $\tanh(x^{2k+1})$ activation, and explicit spin-hole sector separation. We test this approach on quasi-one-dimensional valence-bond-solid (VBS) states and their doped soliton variants (sVBS), the exact ground states of a $t$-$J$-like model with a single mobile hole. In finite-size benchmarks, this architecture reaches high fidelity for the exact sVBS state with substantially fewer parameters than generic fully connected, convolutional, and transformer baselines tested under the same setup. For the spin sector, the learned local rule transfers from small to larger systems without retraining. Away from the solvable point, increasing kernel size and hidden dimension systematically improves accuracy, and the model shows approximately $L^2$ parameter scaling in the gapless regime for system size $L$, compared with approximately $L^4$ for matrix-product states in the same regime. Our work establishes a recipe for compact NQS in sign-structured, constrained Hilbert spaces and paves the pathway to physics-informed architectures for the broader $t$-$J$ and Hubbard families.
The development of midwave and longwave infrared single photon detectors is crucial for their emerging applications in spectroscopy, remote sensing, exoplanet detection, and free space quantum communications. However, existing sensors need to be operated at extremely low temperatures (0.08-0.9K) to reduce dark noise and hence require the use of advanced cryogenics such as dilution refrigerators or $^3$He cryogens, significantly limiting applications. Here we propose a vortex-engineering approach based on a hybrid phase transition in a ferromagnet/superconductor bilayer to increase the operating temperature of infrared single photon detectors up to 3.75K. We show that the introduction of a ferromagnetic layer produces a local magnetic field which impedes vortex crossing in the superconductor, reducing dark noise. When a single photon is incident, the photon-induced hotspot causes an order-to-disorder transition in the ferromagnet, leading to a vortex-induced phase transition in the superconducting layer. By engineering the ferromagnet's Curie temperature to be close to the device's operating temperature, single photon sensitivity can be achieved at increased operating temperatures. We predict at midwave/longwave infrared wavelengths (3-14$\mu$m) the operating temperature can be raised to 3.25-3.75K, enabling significantly simpler cooling systems.
Photonic higher-order topological insulators (HOTI) are characterized by a hierarchy of topologically-protected states with different dimensionalities, making them especially interesting for potential applications that combine strong localization of electromagnetic fields and their robust waveguiding. However, their practical implementation often requires expensive processing techniques and is limited by accessible material parameters. In this paper, we demonstrate that a radio-frequency photonic HOTI can be implemented as a metasurface composed of split-ring resonators with couplings between dipole and quadrupole modes. We verify, by numerical simulations and experimentally at frequencies of 1.5-1.7 GHz, that a proposed metasurface supports corner- and edge-localized states. Our results reveal a scalable and easily reconfigurable GHz-range platform that employs printed circuit board technology, thus making crucial steps required for further experimental studies of photonic HOTI and the development of their microwave applications.
Collinear antiferromagnets with broken time-reversal symmetry have emerged as a fertile platform for spintronics. Using a general tight-binding model and first-principles calculations, we show that strain engineering provides a simple route to control magnetic phase transition and activate transverse responses in representative altermagnets RuO$_2$ and MnF$_2$. For pristine RuO$_2$ and MnF$_2$ with Néel vector $\mathbf{n}\parallel$ [001], symmetry constrains the off-diagonal elements of the Hall conductivity tensor to vanish, thereby forbidding anomalous transport and magneto-optical responses. Shear strain applied along the $ac$ direction preserves the spin symmetry relating the two spin-opposite magnetic sublattices and therefore maintains the altermagnetic phase. By contrast, shear strain applied along the $ab$ direction breaks this spin symmetry and drives a transition from an altermagnetic phase to a partially compensated ferrimagnetic phase in metallic RuO$_2$ and to a fully compensated ferrimagnetic phase in semiconducting MnF$_2$. In addition, the lowered symmetry enables finite anomalous Hall, anomalous Nernst, and anomalous thermal Hall conductivities, as well as magneto-optical rotation angles, which are prohibited in the pristine systems. These responses exhibit a clear strain dependence and become progressively stronger as the strain amplitude increases. Our results establish strain engineering as an effective route to manipulate magnetic phases and functional responses in unconventional antiferromagnets, thereby expanding opportunities for antiferromagnetic spintronics and magneto-optical applications.
Bacteria often swim in complex environments where surfaces are ubiquitous and rarely flat. Surface topography and curvature can strongly affect bacterial motility, with important consequences for surface exploration, adhesion, and biofilm formation. Here, we investigate the swimming of a non-tumbling Escherichia coli bacterium near an undulating no-slip surface using hydrodynamic simulations of a detailed model bacterium. The latter is described by a rigid spherocylindrical cell body and flexible flagella modeled with the Kirchhoff rod theory, while the surrounding fluid is simulated using the method of multi-particle collision dynamics. At low curvatures of the sinusoidal surface modulations, the bacterium exhibits persistent near-surface swimming and clockwise trajectories, consistent with the known behavior near flat no-slip walls. As the curvature increases, bacteria swimming toward a ridge can escape from the surface, which we use to estimate a critical curvature where surface detachment is more likely. At larger curvatures, we find that the surface geometry promotes oscillatory swimming along the groove direction, which reduces escape opportunities and, therefore, enhances bacterial trapping. Indeed, the confinement around the groove reverses the swimming of the bacterium from clockwise to counter-clockwise, as we demonstrate by two minimal models. Thus our work highlights the importance of the three-dimensional surface topography in bacterial surface exploration.
We use density functional theory and model Hamiltonians to reveal large spin splitting of bands localized at low-symmetry, ferromagnetic surfaces of bulk antiferromagnets (AFMs). There is great interest in finding new material platforms combining the robustness and ultrafast dynamics of AFMs with large, functional spin splitting which is often restricted to ferromagnets. Here, we show that a subset of AFM surfaces which have symmetry-allowed magnetization can host large spin splitting via bulk degeneracy lifting of sublattice-resolved exchange splittings. Using model Hamiltonians, we show that the spin splitting is maximized for two ferromagnetic surface motifs: terminations with single uncompensated magnetic sublattices, and two-sublattice surfaces whose sublattices are magnetically and electronically compensated in the bulk, but acquire distinct crystal field environments via surface truncation. The latter case can yield FM-like spin splitting magnitudes while also having vanishingly small uncompensated magnetization. In contrast, when surface magnetization arises from relativistic canting on symmetry-connected sublattices, the spin splitting is expected to be small. We confirm these predictions with first-principles calculations of $\mathrm{Cr_2O_3}$ and $\mathrm{FeF_2}$, finding splittings from $\sim10\mathrm{meV}$-$\sim1\mathrm{eV}$ depending on the surface in question. Our findings point to intrinsic surface symmetry breaking as a route to large, functional spin splitting in an expanded range of AFM materials.
This paper examines the Maxwell system of electrodynamics within the framework of distributions. A primary objective is to establish boundary conditions for fields at interfaces when the charge and current densities are measures localized on the interface. From this analysis, the paper presents a derivation of the generalized Snell's law, along with formulas for the amplitudes of the reflected and transmitted waves in terms of the incident amplitude.
Landau-Zener-Stückelberg-Majorana (LZSM) interference occurs when qubit parameters are periodically modulated across avoided level crossings. We explore this phenomenon in nonlinear multilevel bosonic systems, where interference is influenced by multiple energy levels. We fabricate two superconducting resonators with flux-tunable Josephson junction arrays. The first device, exhibiting weak nonlinearity, behaves like a linear resonator under weak driving but shows LZSM interference akin to two-level systems. With stronger driving, nonlinear effects alter the interference pattern. We theoretically demonstrate that merging LZSM peaks can lead to dissipative quantum chaos. In the second device, where nonlinearity exceeds photon-loss rates, we observe additional LZSM peaks from Kerr multiphoton resonances. Under Floquet theory, these resonances represent synthetic modes of coupled nonlinear cavities, revealing effective coupling as modulation parameters vary. Our findings advance the understanding of LZSM physics and emphasize the control of nonlinear Floquet states and the emergence of chaos in engineered systems, with significant implications for novel applications in quantum dynamics and quantum control.
Equivariant network architectures are a well-established tool for predicting invariant or equivariant quantities. However, almost all learning problems considered in this context feature a global symmetry, i.e. each point of the underlying space is transformed with the same group element, as opposed to a local ``gauge'' symmetry, where each point is transformed with a different group element, exponentially enlarging the size of the symmetry group. Gauge equivariant networks have so far mainly been applied to problems in quantum chromodynamics. Here, we introduce a novel application domain for gauge-equivariant networks in the theory of topological condensed matter physics. We use gauge equivariant networks to predict topological invariants (Chern numbers) of multiband topological insulators. The gauge symmetry of the network guarantees that the predicted quantity is a topological invariant. We introduce a novel gauge equivariant normalization layer to stabilize the training and prove a universal approximation theorem for our setup. We train on samples with trivial Chern number only but show that our models generalize to samples with non-trivial Chern number. We provide various ablations of our setup. Our code is available at this https URL.
We propose a scheme of quantum error correction that employs a multi-particle quantum walk defined on nested squares, each hosting a single particle. In this model, each particle moves within its own distinct square through iterations of three discrete-time operations: (i) $\mathcal{C}$: each particle updates its two-level internal {\it coin} state, (ii) $\mathcal{S}$: it either shifts to an adjacent vertex or stays put, depending on the coin state, (iii) $\mathcal{N}$: it interacts with another particle if these particles arrive at the nearest-neighbor vertices of the two adjacent squares, acquiring a phase factor of $-1$. Because a single particle represents a three-qubit state through its position and coin state, Shor's nine-qubit code is implemented using only three particles, with two additional particles for syndrome measurement. Notably, our proposal would lead to ultrafast and resource-efficient quantum error correction by taking the continuous limit of the discrete-time iterations of $\mathcal{C}\rightarrow\mathcal{S}\rightarrow\mathcal{N}\rightarrow\mathcal{C}\rightarrow\cdots$. Note that the scheme is also resilient against a unified correctable noise model presented in the companion paper~(arXiv:2604.25747).
We introduce a non-Hermitian $\beta$-ensemble and determine its spectral density in the limit of large $\beta$ and large matrix size $n$. The ensemble is given by a general tridiagonal complex random matrix of normal and chi-distributed random variables, extending previous work of Mezzadri and Taylor (2025). The joint distribution of eigenvalues contains a Vandermonde determinant to the power $\beta$ and a residual coupling to the eigenvectors. A tool in the computation of the limiting spectral density is a single characteristic polynomial for centred tridiagonal Jacobi matrices, for which we explicitly determine the coefficients in terms of its matrix elements. In the low temperature limit $\beta\gg1$, our ensemble reduces to such a centred matrix with vanishing diagonal. A general theorem from free probability based on the variance of the coefficients of the characteristic polynomial allows us to obtain the spectral density when additionally taking the large-$n$ limit. It is rotationally invariant on a compact disc, given by the logarithm of the radius plus a constant. The same density is obtained when starting form a tridiagonal complex symmetric ensemble, which thus plays a special role. Extensive numerical simulations confirm our analytical results and put this and the previously studied ensemble in the context of the pseudospectrum. The numerical study of the local nearest-neighbour spacing distribution shows agreement between the tridiagonal ensemble and two-dimensional Poisson statistics (independently of $\beta$), whereas we observe a $\beta$-dependence for the previously introduced ensemble.
We investigate the entanglement entropy (EE) and spectral gap properties of highly entangled spin chains arranged along a Hamiltonian path on a two-dimensional (2D) lattice with geometries reminiscent of Fermat's spiral. Interpreting the interactions along the spin chain as the strongly anisotropic limit of a 2D model, with couplings oriented along different directions in different quadrants, we construct an exactly solvable ground state (GS) that exhibits volume scaling of EE across bipartition through the center in any direction. This provides another mechanism for realizing 2D GSs with local interactions that violate the entanglement area law. As in the previously studied coupled-chains paradigm, the new construction features an entanglement phase transition, but with distinct scaling at the critical point and in the weakly entangled phase, and a faster closing of the spectral gap in the highly entangled phase. The corresponding tensor network representation uses lower-rank tensors while preserving a global geometry similar to that of coupled-chains model. Finally, the Fermat-spiral layout naturally generalizes to two highly entangled 1D chains coupled by a quantum junction at the center of the 2D system.
We propose a time- and wavelength-multiplexed remote atom-atom entanglement generation protocol based on cavity-assisted photon scattering (CAPS). This is designed to achieve a high rate and high fidelity with robustness to operational imperfections, parameter fluctuations, and auxiliary time costs, such as percent-level photon impurity, timing and cavity parameter jitter, and atom shuttling time costs. We benchmark this protocol using comprehensive analytical and numerical modeling of the atom-cavity dynamics, including state-dependent pulse delay effects, photon temporal impurity, atom-cavity system parameter fluctuations, and crosstalk among atoms through a shared cavity mode. With realistic atom-cavity system performance, we predict $2\times 10^{5}\,\mathrm{s}^{-1}$ successful atom-atom Bell pair generation even without in-cavity qubit reset, substantially enhanced from two-photon-interference-based protocols, at a predicted heralded fidelity of 0.999.
A method for obstructing symmetry enhancement in numerical conformal bootstrap calculations is proposed. Symmetry enhancement refers to situations where bootstrap studies initialised with a certain symmetry end up allowing theories with higher symmetry. In such cases, it is shown that redundant operators in the less symmetric theory can descend from primary scaling operators of the more symmetric one, motivating the imposition of spectral gaps that are justified in the former but not the latter. The same mechanism can also be used to differentiate between decoupled and fully coupled theories which otherwise have the same global symmetry. A systematic understanding of this mechanism is developed and applied to distinguish the cubic from the $O(3)$ model in three dimensions, where a strip of disallowed parameter space, referred to as the cubic redundancy channel, emerges once a gap associated with a redundant operator of the cubic theory is imposed. The channel corresponds precisely to the region of parameter space where the assumed cubic symmetry would be enhanced to $O(3)$.
Accurately annotating and controlling protein function from sequence data remains a major challenge in protein engineering, especially when functional labels are scarce within large homologous families. Here, we study a two-stage light-supervision strategy for fine-grained functional annotation and label-aware sequence generation. First, we compare several sequence representations, including one-hot encodings, Restricted Boltzmann Machines (RBMs), and ESM2-based protein language model embeddings, for predicting intra-family specificity labels from limited supervision. By using train/test splits that explicitly reduce phylogenetic leakage, we show that ESM2-based representations do not systematically outperform family-specific RBM embeddings or even simple one-hot baselines in this regime. Second, we use the inferred annotations to train an annotation-aware RBM capable of generating artificial homologs conditioned on prescribed labels. Across several protein families, we quantify how the number and quality of available labels determine the reliability of conditional generation. Our results show that scarce annotations can support label-aware protein design when they are accurately propagated, while also highlighting the importance of phylogeny-aware evaluation for assessing functional annotation methods within homologous families.
Dynamic quantum circuits generate states that depend on the measurement results obtained during circuit execution. To date such a quantum computing model has mainly been implemented with qubit-based superconducting hardware utilizing reset operations and classical logic. Here we develop a model of optical reset by using time-bin self-looped interferometers demonstrated in recent experiments. Synchronizing the optical reset with a simple classical device storing history of measurement results allows one to decrease uncertainty of future measurements, which suggests new possibilities for constructing dynamical circuits on optical platforms. Information flow with significant multi-time correlations and memory depth is identified through distinct information-theoretic measures. We discuss potential applications of the proposed reset model, including the realization of boson sampling and experimental tests of the quantum-mechanical formulation of Landauer's principle.
We investigate excitation transfer in an engineered cavity QED transport architecture consisting of an N-site donor ring coupled coherently to a central acceptor and driven by a single quantized photon mode. The system evolves under a Lindblad master equation including spontaneous loss and pure dephasing. In the ordered symmetric limit, the dynamics reduce exactly to a photon-bright mode-acceptor trimer, allowing closed-form analytic expressions for transfer efficiencies and mode-resolved losses. We demonstrate that near-unity efficiency arises from photon-mediated hybridization that generates a dark transport channel in which ring population is strongly suppressed. This cavity-induced mechanism bypasses dissipative dark modes of the ring and is distinct from conventional excitonic transport or environmentally assisted quantum transport (ENAQT). Static disorder in photon-ring coupling activates lossy ring modes through hybridization, while intra-ring coupling primarily shifts spectral crossings and can restore efficiency by separating dissipative channels. The model is interpreted as a tunable quantum-optical transport device. Our analytic reduction provides clear design principles for engineered quantum transport networks operating in cavity-QED platforms.
Neural-network-based machine learning interatomic potentials have emerged as powerful tools for predicting atomic energies and forces, enabling accurate and efficient simulations in atomistic modeling. A key limitation of traditional deep learning approaches, however, is their inability to provide reliable estimates of predictive uncertainty. Such uncertainty quantification is critical for assessing model reliability, especially in materials science, where often the model is applied on out-of-distribution data. Different strategies have been proposed to address this challenge, with deep ensembles and Bayesian neural networks being among the most widely used. In this work, we introduce an implementation of Bayesian neural networks with variational inference in the aenet-PyTorch framework. To evaluate their applicability to machine learning interatomic potentials, we systematically compare the performance of variational BNNs and deep ensembles on a dataset of 7,815 TiO$_{2}$ structures. The models are trained on both the full dataset and a subset to assess how variations in data representation influence predictive accuracy and uncertainty estimation. This analysis provides insights into the strengths and limitations of each approach, offering practical guidance for the development of uncertainty-aware machine learning interatomic potentials.
Stability against perturbations is a highly nontrivial property of quantum systems and is often a requirement to define new phases. In most systems where stability can be rigorously established, only static perturbations are considered; whether any system can remain stable against generic time-dependent perturbations is largely elusive. In this work, we identify a universal phenomenon in driving $q$-local Hamiltonians called energy-space localization and prove that it can survive under generic time-dependent perturbations, where the evolving state is exponentially localized in an energy window of the instantaneous spectrum. For spin glass models where the configuration spaces are separated by large energy barriers, the localization in energy spaces can induce a true localization in configuration spaces and robustly break ergodicity. We then demonstrate its applications in several systems with such barriers. For certain LDPC codes, we show that the system remains localized near the original codeword for an exponentially long time even under generic time-dependent perturbations. For classical optimization problems with clustered solution space, the stability becomes an obstacle for quantum Hamiltonian-based algorithms to escape local minima. Our work provides a new lens for analyzing non-equilibrium dynamics of generic quantum systems, and versatile mathematical tools for establishing stability and for designing quantum algorithms.
We investigate the physical consequences of having a spectrum that satisfies random matrix theory (RMT) for generic Lindbladians, and compare its implications for spatially local and completely random Lindblad dynamics in one spatial dimension. We find that Lindbladians whose spectrum is described by RMT exhibit quasiuniversal early-time dynamics for quantities nonlinear in the density matrix, in the sense that for generic, highly entangled initial states, the early time evolution is independent of the choice of initial state. We numerically investigate how locality generically imposes constraints on the size-dependence of Lindblad eigenoperators. This size dependence implies that linear observables, such as expectation values of local operators, are highly sensitive to eigenmodes outside the bulk of the spectrum in the thermodynamic limit, and plays a central role in limiting operator growth in the presence of dissipation. We find that when single-site dissipation dominates, an operator's decoherence scales approximately linearly with its Pauli weight, even in the presence of two-site jump operators. When two-site only dissipation dominates, however, this generic trend in operator size can be violated for numerically accessible system sizes, leading to long-lived high Pauli-weight operators.
We study the entanglement dynamics of one-dimensional fermionic chains subject to a local Floquet drive of a two-site impurity, and uncover a sharp transition in the entanglement dynamics set by the driving period $T$. For large periods, the entanglement entropy (EE) grows linearly in time, signaling a heating phase with volume-law entanglement; below a critical period $T_\ast$, the EE instead grows subextensively, characteristic of a local quantum quench. We establish this dichotomy in two complementary settings: a gapless nearest-neighbor hopping chain, where a single transition separates logarithmic from volume-law growth, and a gapped Su-Schrieffer-Heeger (SSH) chain, whose two-band structure yields a richer phase diagram with multiple area-to-volume-law transitions. In the noninteracting limit, we trace these transitions analytically to quasienergy folding in the single-particle Floquet spectrum: a single $\pi$-gap closure for the NN chain, and a sequence of foldings at both 0- and $\pi$-gaps for the SSH chain, yielding the alternating pattern of heating and non-heating phases. We further show that the so-called ``average energy" operator furnishes a many-body diagnostic of the transition, remaining local in the non-heating phase but developing non-local couplings in the heating phase. For the gapless chain, using extensive matrix-product-state simulations, we demonstrate that the non-heating phase and its subextensive entanglement growth survive weak interactions over numerically accessible timescales. Our results establish local Floquet engineering as a route to emergent bulk phenomena, offering a new perspective on energy localization and thermalization in driven many-body systems.
We present an isothermal Global Buckley--Leverett framework for multicomponent, multiphase flow in porous and fractured media that retains the interpretability of classical Buckley--Leverett while incorporating essential physics: equation of state-based phase behavior, multicomponent Maxwell--Stefan diffusion, dynamic capillarity, stress-sensitive permeability, and non-Darcy fracture flow. The formulation yields a single global-pressure equation driving the total Darcy flux and an exact fractional-flow decomposition of phase velocities with buoyancy and capillary drifts; inertial effects enter as per-phase damping that renormalizes mobilities. Crucially, the combination of Maxwell--Stefan diffusion and dynamic capillarity renders transport pseudo-parabolic, resolving the loss of strict hyperbolicity that plagues three-phase Buckley--Leverett and ensuring a well-posed initial-value problem. In practice, each time step solves the scalar global-pressure equation, reconstructs phase fluxes via the split, and advances strictly conservative component balances; axisymmetric (cylindrical) forms for radial injection with vertical buoyancy are provided. The model reduces exactly to classical Buckley--Leverett when added physics are disabled, making it a practical backbone for carbon storage, geothermal exchange, and contaminant transport in fractured, compositionally complex reservoirs.
The recently introduced random purification channel, which converts $n$ i.i.d. copies of any mixed quantum state into a uniform convex combination of $n$ i.i.d. copies of its purifications, has proved to be an extremely useful tool in quantum learning theory. Here we give a remarkably simple construction of this channel, making its known properties -- and several new ones -- immediately transparent. In particular, we show that the channel also purifies non-i.i.d. states: it transforms any permutationally symmetric state into a uniform convex combination of permutationally symmetric purifications, each differing only by a tensor-product unitary acting on the purifying system. We then apply the channel to give a one-line proof of (a stronger version of) the recently established Uhlmann's theorem for quantum divergences.
We present general four-loop template $\beta$-functions and anomalous field dimensions for renormalisable scalar-fermion theories in three dimensions. By imposing $\mathcal{N}=1$ and $\mathcal{N}=2$ supersymmetry, we obtain relations between the template RGE coefficients, valid in any renormalisation scheme. Directly in $d=3$, we identify a new theory with a non-trivial IR fixed point that is under perturbative control in a large-$N$ limit. We provide up-to-date numerical results for all required massive tadpole master integrals up to four loops and complement them with analytic expressions where available.
We present a framework for local quantum cooling that can be efficiently applied to large-scale Fermi systems. The method introduces local Hermitian operators as a cooling potential while strictly preserving the unitarity of time evolution. Our formulation scales favorably with system size and can be seamlessly integrated into time-dependent density-functional theory frameworks. We demonstrate that energy cooling arises from the damping of particle currents and pairing-field fluctuations. Furthermore, we develop a variant of the scheme that allows the particle number to vary in time, enabling controlled density scans. The method is generic and versatile, as illustrated by applications to spin-imbalanced unitary Fermi gases and to nuclear matter in the neutron-star crust. The framework can be naturally extended to include stochastic noise, providing a foundation for studying thermalization in strongly interacting Fermi superfluids.
We investigate the dynamical phases that emerge in collective spin models subjected to a spatially non-uniform periodic drive. Taking the paradigmatic Lipkin-Meshkov-Glick (LMG) model as a concrete platform, we establish that a rich landscape of dynamical phases emerges when two regions of the system are driven with different field strengths, $h_1$ and $h_2$. Remarkably, despite the `all-to-all' nature of the interactions, the system can be driven into dynamical phases characterized by distinct kinds of discrete time crystal (DTC) orders in different parts of the system. Apart from these coexisting DTCs, tuning the driving field leads to the emergence of phases where DTCs coexist with Floquet-synchronized or oscillatory phases; the former has been dubbed a chimera DTC. Finally, we demonstrate that a tunable set of global DTC phases emerges when $h_1$ and $h_2$ are proximate. Crucially, these dynamical regimes can be observed both for experimentally relevant finite-size systems and in the thermodynamic limit. Our results establish spatially structured driving as a powerful route to realize non-equilibrium phase coexistence in collective spin systems.
In this paper we introduce a new class of integrable 3D lattice models, possessing continuous families of commuting layer-to-layer transfer matrices. Algebraically, this commutativity is based on a very special construction of local Boltzmann weights in terms of quantum dilogarithms satisfying the inversion and pentagon identities. We give three examples of such quantum dilogarithms, leading to integrable 3D lattice models. The partition function per site in these models can be exactly calculated in the limit of an infinite lattice by using the functional relations, symmetry and factorization properties of the transfer matrix. The results of such calculations for 3D models associated with the Faddeev modular quantum dilogarithm are briefly presented.
We use classical computational methods to estimate the ground-state energy to chemical accuracy in a model of the FeMo-cofactor of nitrogenase which is widely studied as a target of quantum computing. Our result relies on the insight that the ground-state problem can be characterized as one of ranking many competing, but largely simple, states. This allows a combination of systematic high-order coupled cluster and density matrix renormalization group calculations together with an extrapolation protocol to obtain an accurate energy. Within the model we identify several spin isomer candidates for the ground-state that are degenerate to chemical accuracy. Beyond this model, we characterize the impact of additional electronic excitations and the cluster and protein geometric fluctuations on the low-lying electronic landscape. We find that many features of the landscape are retained in more detailed representations of nitrogenase, which points to the complexity of spectroscopic interpretations of the electronic structure of the FeMo-cofactor.
We study the abelian sub-C*-algebra of the CAR algebra generated by the start and face opertors of Kitaev's toric code. We show that it is a C*-diagonal equivalent to the canonical diagonal of the CAR algebra.
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-state (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.
Distinguishability is central to quantum information theory, but a quantitative measure for distinguishing topological defects--realizations of generalized symmetries in quantum field theory (QFT)--has been lacking. We introduce the notion of the \textit{defect relative entropy} to fill this gap for topological defects in two-dimensional conformal field theories (CFTs). For defects on a circle, we derive a universal formula that reduces defect relative entropy to a Kullback--Leibler divergence determined entirely by the modular $\mathcal{S}$-matrix and defect coefficients. Thus, the algebraic data governing modular transformations also determines defect distinguishability. A striking consequence is that certain distinct defects can have vanishing relative entropy when restricted to one side, implying that an observer confined to that side cannot distinguish them. This gives rise to information-theoretic equivalence classes of defects, which we term \textit{defect relative sectors}. We further introduce the sandwiched defect Rényi relative entropy and defect fidelity, derive general formulas for these quantities. Explicit calculations in the Ising model, tricritical Ising model, and $\widehat{su}(2)_k$ WZW models illustrate our results.
Krylov subspace methods quantify operator growth in quantum many-body systems through Lanczos coefficients that encode how operators spread under time evolution. Although these diagnostics were originally motivated by questions of chaos and integrability, quadratic fermionic Hamiltonians are often expected to exhibit trivial Lanczos structure. Here we show that, in the long-range Kitaev chain, Lanczos coefficients generated from local boundary operators sharply diagnose whether the lowest excitation gap is controlled by boundary-localized or bulk-extended modes. We introduce the $Krylov$ $staggering$ $parameter$ for the Lanczos coefficients. In the short-range Kitaev chain with balanced hopping and pairing, we derive analytically for arbitrary system size (valid in the thermodynamic limit) and show that this quantity is exactly constant and its sign cleanly distinguishes the topological phase with Majorana edge modes from the trivial phase. Away from that limit, long-range couplings and pairing-hopping imbalance deform the simple flat structure and analytical control is lost, nevertheless, we show that the sign pattern of the diagnostic still tracks whether the lowest excitation gap is controlled by boundary modes or by bulk excitations. These results are enabled by an exact single-particle operator Lanczos algorithm, as derived in this work, which reduces the recursion from exponentially large operator space to a finite-dimensional linear problem and achieves machine precision for chains of hundreds of sites. Krylov diagnostics thus emerge as practical probes of boundary-versus-bulk low-energy physics in topological superconductors with broken $U(1)$ symmetry and algebraically decaying couplings.
The localization transition in the Hermitian Aubry-André model is known to have a clear classical origin, with the critical point being exactly predictable from an analysis of classical phase-space trajectories. Motivated by this correspondence, we investigate whether a similar classical origin exists for localization transitions in non-Hermitian quasiperiodic Hamiltonians. Using semiclassical Husimi dynamics together with a detailed phase-space stability analysis, we show that localization transitions persist even in the semiclassical limit of such non-Hermitian models. However, in sharp contrast to the Hermitian Aubry-André case, the transition point inferred from classical phase-space analysis does not coincide with the quantum critical point. Instead, we find that the semiclassical transition depends sensitively on the choice of the irrational parameter defining the quasiperiodic potential, indicating the absence of a universal classical-quantum correspondence for the localization transition in the non-Hermitian setting. Nonetheless, we identify a suitable parameter regime in which the classical dynamics can faithfully mimic the quantum dynamics over a finite but appreciable time window.
Causality -- that a response cannot precede its cause -- is among the most universal constraints in physics. Yet when a unitary microscopic theory is reduced to an open-system memory-kernel equation, causality is not inherited for free: an upper-half-plane pole of the kernel forces exponential growth of the reduced propagator and is incompatible with any completely positive trace-preserving (CPTP) reduced dynamics. We examine three objects with different causal structure under projection -- the Nakajima-Zwanzig (NZ) memory kernel $\tilde{\mathcal{K}}(z)$, the reduced-state Laplace transform $\tilde{\sigma}(z)$, and the force-fit effective kernel $\tilde{\mathcal{K}}_\text{eff}(z)$ -- using the Kramers-Kronig (KK) relations as diagnostic. Under a real-axis spectral hypothesis on the projected generator, $\tilde{\mathcal{K}}(z)$ lies in a vector-valued Hardy space and obeys (subtracted) KK relations, giving a CPTP-consistency criterion, a passivity-analyticity statement, and a Carleman diagnostic. We prove $\tilde{\sigma}(z)$ analytic in the upper half-plane for any initial state -- unitarity bounds $\|\sigma(t)\|_{\mathrm{op}} \leq 1$, so acausality cannot be blamed on the state alone. Yet the force-fit kernel can develop upper-half-plane poles at simple zeros of $\tilde{\sigma}(z)$: passive baths sit in a robust regime where these zeros stay real, while near-resonant systems enter a fragile regime in which coherence-channel zeros migrate into the upper half-plane, an intrinsic symmetry property already present for factorized states. We verify the full operator-valued KK relation on the extracted $4\times4$ NZ memory kernel of the Jaynes-Cummings model, the relative $L_2$ residual decreasing under refinement ($3.8\% \to 0.95\%$), consistent with exact matrix-valued KK in the continuum limit.
In this paper, we formulate the Schrodinger equation in gauge-theoretic terms. Starting from the Madelung representation, we rewrite the conserved probability current using gauge fields, namely a one-form gauge field in the $(2+1)$-dimensional theory and a two-form gauge field in the $(3+1)$-dimensional theory. This gives a local equivalence between the Schrodinger equation, quantum hydrodynamics and a non-relativistic gauge theory, while the global information is carried by the quantization condition of phase winding around zeros of the wavefunction. We then use this correspondence to study how topological deformations of gauge action and symmetry properties are represented in the wavefunction and fluid descriptions. On the gauge side, BF couplings to additional one-forms account for electromagnetic coupling, Berry connections, spinor dynamics, adiabatic non-abelian Berry connections, and intrinsic holonomy. Chern-Simons term admit, after eliminating the gauge field, a nonlocal realization in terms of wavefunction. This functional retain the topological content of the gauge description, but also contain dynamical contribution. In the presence of boundaries, the topological terms produce edge degrees of freedom and boundary charge algebras. Finally, in the nonlinear regime with a Bogoliubov sound mode, the dual two-form description relates acoustic memory to large gauge transformations and identifies the soft sector expected to complete the corresponding infrared triangle.
The shortest path multiplicity, here denoted by $\mu$, is an important metric of complex networks. For real networks $\mu$ is high and it correlates with the network community structure. Since local network evolution induces network communities, it is possible that a high shortest path multiplicity is the natural expectation of local evolution rules. Here I demonstrate, by means of numerical simulations, that this is indeed the case. For random graphs with arbitrary degree distributions $p_k$, $\langle\mu\rangle\sim \langle k(k-1\rangle / \langle k\rangle e$, growing with the network size when $p_k\sim k^{-\gamma}$ and $\gamma\leq3$. For networks generated by local rules, $\langle\mu\rangle$ increases with increasing the network size and it does faster than what observed in their randomized versions. Furthermore, the number of communities increases with the network size and the correlation with $\langle \mu\rangle$ follows.
Quartz tuning forks, functioning as electrically driven piezoelectric resonators, have long served as exceptionally stable and widely adopted timing references in diverse domains of research and industry. Yet, experimentally measured electrical resonance spectra often exhibit resonance evolutions that remain unexplained within existing theoretical descriptions. Here we develop a unified continuum electromechanical modal framework that integrates piezoelectric electrodynamics, variational structural dynamics, and symmetry-selected electromechanical observability. Our theory shows quantitative agreement with experimental results, demonstrating that electrical observability emerges not from the underlying mechanical eigenmodes alone. The resulting framework unifies conventional coupled-oscillator, equivalent-circuit, and continuum descriptions within a single first-principles theory and provides a rigorous basis for precision electromechanical characterization.
We study energy transport between two quantum systems coupled through a random interaction. The central feature of our approach is to model the coupling as a Gaussian random matrix, which enables a simple and systematic perturbative expansion. In the large-$N$ limit, we derive explicit expressions for the energy transfer rate and heat conductance up to second order in the coupling strength. Using spectral methods and diagrammatic expansions, we obtain the leading- and next-to-leading-order contributions to the energy transfer rate. We illustrate our results through explicit calculations for Gaussian, constant, semicircular, and Gamma densities of states.
We develop Bellman-sufficient information complexity, a representation-level framework for studying information-theoretic complexity in sequential decision making. The primitive object is an environment space $\Omega$ and an admissible algorithm class. The intrinsic object is a Bellman-sufficient state representation together with an information index $Y=\chi(\Omega)$, often the optimal decision or value object rather than the full environment. This replaces syntactic model realizability with representation-level sufficiency for decision making. On the upper-bound side, learning is organized as a dynamic program on the sufficient state with a logarithmic information potential for the index. In fixed-truth analysis this potential is represented by the coordinate log loss $\gamma\log(1/q_t(\chi(\omega^\star)))$; in the indexed Algorithmic Information Ratio (AIR) regret identities it gives rise to the log-posterior telescope, and after Bayesian posterior averaging it corresponds to an entropy term. On the lower side, a Bellman-Fano certificate uses the same state and index to compare the indexed information telescope with the ghost-good mass of low-regret reference trajectories. The central matching statement is therefore a conditional Bellman information-risk sandwich when the log-penalized Bellman upper value and the ghost-quantile lower certificate close on the same representation and at the same radius. UCB, E2D/DEC, and AMS/EBO then appear as tractable certificates or relaxations of this same log-potential Bellman program, rather than as separate notions of information complexity.
Pseudo entropy is a complex-valued generalization of entanglement entropy defined from a reduced transition matrix. We study the pseudo entropy associated with a real-time transition matrix between an initial pure state and its unitary time evolution. For a subsystem $A$, we show that the short-time behavior of real-time pseudo entropy is governed by the correlation between the physical Hamiltonian $H$ and the modular Hamiltonian $K_A=-\log\rho_A$ of the initial reduced state, $ S_A(t,0)=S_A(0)-it \langle K_A(H-\langle H\rangle)\rangle + \mathcal{O}(t^2)$. For Hermitian dynamics, the initial imaginary response is controlled by the symmetrized covariance of $H$ and $K_A$ with an overall minus sign, while the initial real response is governed by their commutator. Thus the imaginary part of real-time pseudo entropy is not merely a branch artifact: it is a time-oriented modular response generated by the correlation between microscopic time evolution and subsystem coarse graining. We clarify the relation of this result to the known first law of pseudo entropy, derive an all-order expression in a Schmidt-diagonal model, recover thermal pseudo entropy as a special case, illustrate the covariance/commutator decomposition in a two-qubit model, and confirm the covariance response in transverse-field Ising-chain quenches, including a finite-size study of a modular susceptibility near the Ising critical region. We discuss how this amplitude-level oriented response can be related to ordinary entropy production, and also give a concrete $\mathcal{PT}$-symmetric toy-model illustration of the non-Hermitian extension.
We revisit the problem of scalar dissipation anomaly and scaling of scalar gradients in passive scalar turbulence using theory and data from well-resolved direct numerical simulations (DNS) on grid sizes of up to $8192^3$, spanning Taylor-scale Reynolds numbers $Re_\lambda=140-1000$ and Schmidt numbers $Sc = 1-512$. The theory is based on a joint multifractal description of longitudinal velocity increments and scalar increments, constrained by Yaglom's law and extended to gradients via a fluctuating Batchelor cutoff scale. The DNS data show that the normalized mean scalar dissipation approaches a single asymptotic value as both $Re_\lambda$ and $Sc$ increase, although larger $Sc$ requires larger $Re_\lambda$ to reach this state. In the multifractal framework, this corresponds to an effective scalar Hölder exponent tending to zero, associated with sharp cliff-like scalar fronts, and saturation of inertial-range scaling scalar structure-function exponents. The joint velocity-scalar fractal dimension of the dissipative structures is inferred to approach $7/3$, indicating a non-space-filling support. The framework further predicts that for fixed $Re_\lambda$, higher-order central moments of scalar gradients are independent of $Sc$. This prediction is confirmed by DNS data and by the collapse of standardized probability distributions of scalar-gradient across Schmidt numbers. These results suggest that the $Sc$-scaling of scalar gradients is dictated solely by scalar dissipation anomaly. In contrast, their $Re_\lambda$-dependence reflects strong intermittency, which can be directly related to mixed velocity-scalar structure function exponents.
Random non-hermitian matrix ensembles with double-sided rotation invariance obey, in the limit of large matrix size, the Single Ring Theorem, which states that the support of the mean eigenvalue distribution in the complex plane is either a disk or an annulus. In contrast, rotational-invariant random normal matrix ensembles can have mean eigenvalue densities supported over any number of concentric annuli in the complex plane. In this paper we introduce and investigate, both analytically and numerically, a non-hermitian matrix model which flows from a generic matrix distribution obeying the Single Ring Theorem to a distribution of normal matrices by tuning a parameter which penalizes non-normality. We observe numerically breakdown of the Single Ring Theorem as the model flows towards normality, and determine the critical value of the parameter at which the transition occurs. We also study in detail the behavior of the singular values of these matrices under the flow. These singular values form a Fermi gas confined to the positive half-line. In particular, we find that at small values of the flow parameter, the interparticle spacings in the gas exhibit Wigner-Dyson repulsion, whereas for asymptotically large values of the flow parameter, at the normal matrix endpoint of the flow, the spacing statistics is Poissonian. The flow interpolates continuously between these two types of statistics. However, this change in statistics is not related directly to breaking of the Single Ring Theorem, which occurs very early-on along the flow, in the regime of Wigner-Dyson statistics. Finally, we introduce a certain ensemble of random permutations associated with the gas, and make a conjecture on how to use it in order to reconstruct approximately the average density of complex eigenvalues from that of the singular values in the large-$N$ limit.
We propose the gauge-invariant criteria of center-vortex condensation and monopole condensation using the $\mathbb{Z}_N^{[1]}$-symmetry twisted partition functions: The torus twisted partition function characterizes the center-vortex condensation, and the lens-space twisted partition function characterizes the monopole condensation. To justify our proposal, we study how these twisted partition functions behave in the adjoint Higgs phase and show that their leading nontrivial contributions come from the center vortex and monopole, respectively. Using the techniques of topological field theories, we uncover the relation between the center-vortex and monopole condensations, and in particular, we prove that the gapped phase with the center-vortex condensation necessarily shows the monopole condensation, too. We then study a center-vortex model with monopoles as an illustrative example, and the higher-charge monopole condensation gives an example of the symmetry fractionalization, which goes beyond the conventional Wilson-'t Hooft classification.
Quantum error-correcting codes (QECs) are essential components of quantum computation and have deep connections to quantum phases of matter. A key obstruction to passive self-correcting QECs is the presence of string logical operators, which can generate logical errors through constant-energy-barrier processes. Haah's Codes (fracton codes) showed that three-dimensional stabilizer codes can forbid such string logical operators, but their translation-invariant structure supports self-similar fractal logical operators with a logarithmic energy barrier. We introduce the qutrit random cubic codes, a family of local qutrit Calderbank-Shor-Steane stabilizer Hamiltonians with similar cube-check structure as Haah's Code 1 but built from spatially varying stabilizers. We prove that these models retain the no-string property and numerically observe that they have properties distinct from translation-invariant fracton codes: the smallest ground-state degeneracy exponent is $k=2$ for odd $L$ and $k=4$ for even $L$; noncontractible plane-logical operators span the entire logical space; and charge-push diagnostics show that the self-similar fractal operators are absent. These results demonstrate that constrained randomness can fundamentally change the nature of stabilizer codes and improve their self-correction properties. They further point to broader families of quantum error-correcting codes and quantum phases beyond canonical topological and fracton orders.
Recent advances in silicon nitride nanomechanical resonators have pushed mechanical quality factors to ultra-high values by combining stress-induced dissipation dilution with mode-shape engineering. Neither mechanism alters the intrinsic quality factor $Q_{\mathrm{intr}}$. Targeting the intrinsic loss itself therefore remains an untapped route to even higher $Q$. Doing so first requires reliable quantification of $Q_{\mathrm{intr}}$, which has proven challenging. Here we present a robust methodology that quantifies $Q_{\mathrm{intr}}$ by combining automated mode identification with systematic ringdown measurements over a large number of mechanical modes. Applied to high-stress silicon nitride membranes, it reveals a systematic dependence of $Q_{\mathrm{intr}}$ on thickness that cannot be described using established models, particularly in the ultra-thin limit. We account for this trend with a phenomenological model that incorporates a thickness-dependent loss channel. Together, our method and model open a route toward a microscopic understanding of intrinsic dissipation and toward directly mitigating its loss channels.