New articles on Condensed Matter


[1] 2411.12793

Deep Boundary Perturbations at a Quantum Critical Point

In this work, we introduce a new class of problems in the study of (quantum) critical phenomena, termed "deep boundary criticality". Traditionally, critical systems are analyzed with two types of perturbations: those uniformly distributed throughout the bulk, which can significantly alter the bulk criticality by triggering a nontrivial bulk renormalization group flow, and those confined to a boundary or subdimensional defect, which affect only the boundary or defect condition. Here, we go beyond this paradigm by studying quantum critical systems with boundary perturbations that decay algebraically (following a power law) into the bulk. By continuously varying the decay exponent, such perturbations can transition between having no effect on the bulk and strongly influencing bulk behavior. We investigate this new regime using two prototypical models based on (1+1)D massless Dirac fermions. Through a combination of analytical and numerical approaches, we uncover exotic scaling laws in simple observables and observe qualitative changes in model behavior as the decay exponent varies.


[2] 2411.12826

Frustrated Spin Systems: History of the Emergence of a Modern Physics

In 1977, G\'erard Toulouse has proposed a new concept termed as "frustration" in spin systems. Using this definition, several frustrated models have been created and studied, among them we can mention the Villain's model, the fully frustrated simple cubic lattice, the antiferromagnetic triangular lattice. The former models are systems with mixed ferromagnetic and antiferromagnetic bonds, while in the latter containing only an antiferromagnetic interaction, the frustration is caused by the lattice geometry. These frustrated spin systems have novel properties that we will review in this paper. One of the striking aspects is the fact that well-established methods such as the renormalization group fail to deal with the nature of the phase transition in frustrated systems. Investigations of properties of frustrated spin systems have been intensive since the 80's. I myself got involved in several investigations of frustrated spin systems soon after my PhD. I have learned a lot from numerous discussions with G\'erard Toulouse. Until today, I am still working on frustrated systems such as skyrmions. In this review, I trace back a number of my works over the years on frustrated spin systems going from exactly solved 2D Ising frustrated models, to XY and Heisenberg 2D and 3D frustrated lattices. At the end I present my latest results on skyrmions resulting from the frustration caused by the competition between the exchange interaction and the Dzyaloshinskii-Moriya interaction under an applied magnetic field. A quantum spin-wave theory using the Green's function method is shown and discussed.


[3] 2411.12836

Doping dependence of low-energy charge collective excitations in high-T$_c$ cuprates

In this study, we analyze the dielectric function of high-Tc cuprates as a function of doping level, taking into account the full energy band dispersion within the CuO$_2$ monolayer. In addition to the conventional two-dimensional (2D) gapless plasmon mode, our findings reveal the existence of three anomalous branches within the plasmon spectrum. Two of these branches are overdamped modes, designated as hyperplasmons, and the third is an almost one-dimensional plasmon mode (1DP). We derive an analytic expression for dynamic part of the response function. Furthermore, we investigated the effect of the doping on these modes. Our analysis demonstrates that in the doping level range close to the optimal doping level, the properties of all three modes undergo a significant transformation.


[4] 2411.12864

Inverse Faraday effect in 3d, 4d, and 5d transition metals

Using first-principles calculations, we systematically investigate the spin contributions to the inverse Faraday effect (IFE) in transition metals. The IFE is primarily driven by spin-orbit coupling (SOC)-induced asymmetry between excited electron and hole spin moments. Our results reveal that even elements with smaller electron magnetic moments, like Os, can exhibit higher IFE due to greater electron-hole asymmetry. Pt shows the highest IFE in the 1 - 2 eV frequency range, while Os dominates in the 2 - 4 eV range. In addition, we demonstrate that the IFE of neighboring elements with similar crystal structures (e.g., Ir, Pt, and Au) can be tuned by adjusting their Fermi levels, indicating the importance of d electron filling on IFE. Finally, we find that the trend in electron (or hole) contributions to the IFE closely follows that of the spin Hall conductivity (SHC), however, the total IFE involves more complex interactions.


[5] 2411.12875

Magnetoelastic Interactions Reduce Hysteresis in Soft Magnets

The width of the magnetic hysteresis loop is often correlated with the material's magnetocrystalline anisotropy constant $\kappa_1$. Traditionally, a common approach to reduce the hysteresis width has been to develop alloys with $\kappa_1$ as close to zero as possible. However, contrary to this widely accepted view, we present evidence that magnetoelastic interactions governed by magnetostriction constants, elastic stiffness, and applied stresses play an important role in reducing magnetic hysteresis width, despite large $\kappa_1$ values. We use a nonlinear micromagnetics framework to systematically investigate the interplay between material constants $\lambda_{100}$, $c_{11}$, $c_{12}$, $\kappa_1$, applied or residual stresses $\sigma_{\mathrm{R}}$, and needle domains to collectively lower the energy barrier for magnetization reversal. A distinguishing feature of our work is that we correlate the energy barrier governing the growth of needle domains with the width of the hysteresis loop. This energy barrier approach enables us to capture the nuanced interplay between anisotropy constant, magnetostriction, and applied stresses, and their combined influence on magnetic hysteresis. We propose a mathematical relationship on the coercivity map: $\kappa_1 = \alpha(c_{11}-c_{12})(\lambda_{100}+\beta\sigma_{11})^2$ for which magnetic hysteresis can be minimized for a uniaxial residual stress $\sigma_\mathrm{R} = \sigma_{11}\hat{\mathbf{e}}_1\otimes\hat{\mathbf{e}}_1$ (and for some constants $\alpha$, $\beta$). These results serve as quantitative guidelines to design magnetic alloys with small hysteresis, and potentially guide the discovery of a new generation of soft magnets located beyond the $\kappa_1 \to 0$ region.


[6] 2411.12887

Investigation of magnetic excitations and charge order in a van der Waals ferromagnet Fe$_5$GeTe$_2$

Understanding the complex ground state of van der Waals (vdW) magnets is essential for designing new materials and devices that leverage these platforms. Here, we investigate a two-dimensional vdW ferromagnet -- Fe$_5$GeTe$_2$-- with one of the highest reported Curie temperatures, to elucidate its magnetic excitations and charge order. Using Fe $L_3 - $edge resonant inelastic x-ray scattering, we find the dual character of magnetic excitations, consisting of a coherent magnon and a continuum, similar to what is reported for its sister compound Fe$_3$GeTe$_2$. The magnon has an energy of $\approx$ 36 meV at the maximum in-plane momentum transfer ($-$0.35 r.l.u.) allowed at Fe $L_3 - $edge. A broad and non-dispersive continuum extends up to 150 meV, 50$\%$ higher energy than in Fe$_3$GeTe$_2$. Its intensity is sinusoidally modulated along the $L$ direction, with a period matching the inter-slab distance. Our findings suggest that while the unconventional dual character of magnetic excitations is generic to ternary Fe-Ge-Te vdW magnets, the correlation length of the out-of-plane magnetic interaction increases in Fe$_5$GeTe$_2$ as compared to Fe$_3$GeTe$_2$, supporting a stronger three-dimensional character for the former. Furthermore, by investigating the $\pm$(1/3, 1/3, $L$) peaks by resonant x-ray diffraction, we conclude these to have structural origin rather than charge order -- as previously reported -- and suggest doubling of the structural unit cell along the $c-$axis.


[7] 2411.12891

Breaking the wire: the impact of critical length on melting pathways in silver nanowires

We explore the melting mechanisms of silver nanowires through molecular dynamics simulations and theoretical modelling, where we observe that two distinct mechanisms or pathways emerge that dictate how the solid-liquid interface melts during the phase transition. For wires longer than a critical length ($L>L_{\textrm{crit}}$), an Arrhenius-type diffusion model successfully predicts the solid-liquid interface velocity, highlighting diffusion-driven melting pathways. In contrast, wires shorter than the critical length ($L\leq L_{\textrm{crit}}$) exhibit unique behaviours driven by non-equilibrium effects, including rapid overheating of the solid core, stabilization of the solid-liquid interface, and the pronounced impact of higher energy densities. These mechanisms lead to accelerated melting and distinct phase transition dynamics. Our findings reveal how geometry and nanoscale effects critically shape melting behaviour, offering insights for the design and stability of nanostructures in advanced applications.


[8] 2411.12896

Nonradiative quenching of EPR signals in germanium-doped AlGaN: evidence for DX-center formation

We present photo-electron paramagnetic resonance (EPR) measurements and first-principles calculations that indicate germanium (Ge) is a DX-center in AlGaN. Our photo-EPR measurements on Ge-doped AlGaN samples show no EPR spectra in the dark, while persistent EPR spectra is observed upon photoexcitation with photon energies greater than ~1.3 eV. Thermally annealing the samples decreased the EPR signal, with the critical temperature to quench the EPR signal being larger in the lower Al-content sample. Using detailed first-principles calculations of Ge in AlGaN, we show all of these observations can be explained by accounting for the DX configuration of Ge in AlGaN.


[9] 2411.12903

Conic sections in ferroelectric nematics: experiments and mathematical modeling

Domain structure of a fluid ferroelectric nematic is dramatically different from the domain structure of solid ferroelectrics since it is not restricted by rectilinear crystallographic axes and planar surface facets. We demonstrate that thin films of a ferroelectric nematic seeded by colloidal inclusions produce domain walls in the shape of conics such as a parabola. These conics reduce the bound charge within the domains and at the domain walls. An adequate description of the domain structures requires one to analyze the electrostatic energy, which is a challenging task. Instead, we demonstrate that a good approximation to the experimentally observed polydomain textures is obtained when the divergence of spontaneous polarization - which causes the bound charge is heavily penalized by assuming that the elastic constant of splay in the Oseen-Frank energy is much larger than those for twist and bend. The model takes advantage of the fact that the polarization vector is essentially parallel to the nematic director throughout the sample.


[10] 2411.12959

Magnetic-thermodynamic phase transition in strained phosphorous-doped graphene

We explore quantum-thermodynamic effects in a phosphorous (P)-doped graphene monolayer subjected to biaxial tensile strain. Introducing substitutional P atoms in the graphene lattice generates a tunable spin magnetic moment controlled by the strain control parameter $\varepsilon$. This leads to a magnetic quantum phase transition (MQPT) at zero temperature modulated by $\varepsilon$. The system transitions from a magnetic phase, characterized by an out-of-plane $sp^3$ type hybridization of the P-carbon (P-C) bonds, to a non-magnetic phase when these bonds switch to in-plane $sp^2$ hybridization. Employing a Fermi-Dirac statistical model, we calculate key thermodynamic quantities as the electronic entropy $S_e$ and electronic specific heat $C_e$. At finite temperatures, we find the MQPT is reflected in both $S_e$ and $C_e$, which display a distinctive $\Lambda$-shaped profile as a function of $\varepsilon$. These thermodynamic quantities sharply increase up to $\varepsilon = 5\% $ in the magnetic regime, followed by a sudden drop at $\varepsilon = 5.5\% $, transitioning to a linear dependence on $\varepsilon$ in the nonmagnetic regime. Notably, $S_e$ and $C_e$ capture the MQPT behavior for low and moderate temperature ranges, providing insights into the accessible electronic states in P-doped graphene. This controllable magnetic-to-nonmagnetic switch offers potential applications in electronic nanodevices operating at finite temperatures.


[11] 2411.12975

Nano-confinement induced nucleation of ice-VII at room temperature

The hydrogen bond (HB) network of water under confinement has been predicted to have distinct structures from that of bulk water. However, direct measurement of the structure has not been achieved. Here, we present experimental evidence of confinement-induced ice formation in water. We directly probe the HB network of a water nano-meniscus formed and confined between a mica substrate and a precisely-controlled-plasmonically active silver tip. By employing tip-enhanced Raman spectroscopy (TERS), we observe a novel double donor-double acceptor (DDAA) peak that emerges in the OH stretching band of water molecules at room temperature and at sub-nanometer confinement. This Raman peak indicates the presence of a solid phase of water, namely ice-VII with the body-centered cubic (bcc) unit. Interestingly, we observe a structural transition from bcc DDAA (ice-VII) to tetrahedral DDAA as the confinement is weakened. Moreover, by identifying the spatial distribution of the HB network, we find that the bcc DDAA network of ice-VII is predominantly present within the interior of the confined water, rather than at air/water or at solid/water interfaces. This suggest the possibility that the appearance of ice-VII in the strongly confined space could be a general characteristic of water under extreme confinement.


[12] 2411.12991

Resolving phonon-mediated superconducting pairing symmetries from first-principles calculation

Thequest for topological superconductors triggers revived interests in resolving non-s-wave pairing channels mediated by phonons. While density functional theory and denstify functional perturbtaion theory have established a powerful framework to calculate electron-phonon couplings in real materials in a first-principles way, its application is largely limited to conventional s-wave superconductivity. Here, we formulate an efficient and simple-to-use algorithm for first-principles pairing channel analysis, and apply it to several representative material systems.


[13] 2411.13018

Comparison of Kikuchi Diffraction Geometries in Scanning Electron Microscope

Recent advances in scanning electron microscope (SEM) based Kikuchi diffraction have demonstrated the important potential for reflection and transmission methods, like transmission Kikuchi diffraction (TKD) and electron backscatter diffraction (EBSD). Furthermore, with the advent of compact direct electron detectors (DED) it has been possible to place the detector in a variety of configurations within the SEM chamber. This motivates the present work where we explore the similarities and differences of the different geometries that include on-axis TKD & off-axis TKD using electron transparent samples, as well as more conventional EBSD. Furthermore, we compare these with the newest method called "reflection Kikuchi diffraction" RKD where the sample is placed flat in the chamber and the detector is placed below the pole piece. Through remapping collected diffraction patterns, all these methods can be used to generate an experimental "diffraction sphere" that can be used to explore diffraction from any scattering vector from the unit cell, as well as the ability to perform band profile analysis. This diffraction sphere approach enables us to further probe specific differences between the methods, including for example thickness effects in TKD that can result in the generation of diffraction spots, as well as electron scattering path length effects that result in excess and deficiency variations, as well as inversion of bands in experimental patterns.


[14] 2411.13027

Machine Learning Domain Adaptation in Spin Models with Continuous Phase Transitions

The main question raised in the letter is the applicability of a neural network trained on a spin lattice model in one universality class to test a model in another universality class. The quantities of interest are the critical phase transition temperature and the correlation length exponent. In other words, the question of transfer learning is how ``universal'' the trained network is and under what conditions. The traditional approach with training and testing spin distributions turns out to be inapplicable for this purpose. Instead, we propose to use training and testing on binding energy distributions, which leads to successful estimates of the critical temperature and correlation length exponent for cross-tested Baxter-Wu and Ising models belonging to different universality classes.


[15] 2411.13031

Two-terminal transport in biased lattices: transition from ballistic to diffusive current

We analyze quantum transport of charged fermionic particles in the tight-binding lattice connecting two particle reservoirs (the leads). If the lead chemical potentials are different they create an electric field which tilts the lattice. We study the effect of this tilt on quantum transport in the presence of weak relaxation/decoherence processes in the lattice. It is shown that the Landauer ballistic transport regime for a weak tilt (small chemical potential difference) changes to the diffusive Esaki-Tsu transport regime for a strong tilt (large chemical potential difference), where the critical tilt for this crossover is determined by the condition that the Wannier-Stark localization length coincides with the lattice length.


[16] 2411.13041

Out-of-equilibrium quantum thermochemical engine with one-dimensional Bose gas

We theoretically explore the finite-time performance of a quantum thermochemical engine using a harmonically trapped 1D Bose gas in the quasicondensate regime as the working fluid. Operating on an Otto cycle, the engine's unitary work strokes involve quenches of interatomic interactions, treating the fluid as a closed many-body quantum system evolving dynamically from an initial thermal state. During thermalization strokes, the fluid is an open system in diffusive contact with a reservoir, enabling both heat and particle exchange. Using a c--field approach, we demonstrate that the engine operates via chemical work, driven by particle flow from the hot reservoir. The engine's performance is analyzed in two regimes: (i) the out-of-equilibrium regime, maximizing power at reduced efficiency, and (ii) the quasistatic limit, achieving maximum efficiency but zero power due to slow driving. Remarkably, chemical work enables maximum efficiency even in sudden quench regime, offering a favorable trade-off between power and efficiency. Finally, we connect this work to prior research, showing that a zero-temperature adiabatic cycle provides an upper bound for efficiency and work at finite temperatures.


[17] 2411.13061

RC circuit based on magnetic skyrmions

Skyrmions are nano-sized magnetic whirls attractive for spintronic applications due to their innate stability. They can emulate the characteristic behavior of various spintronic and electronic devices such as spin-torque nano-oscillators, artificial neurons and synapses, logic devices, diodes, and ratchets. Here, we show that skyrmions can emulate the physics of an RC circuit, the fundamental electric circuit composed of a resistor and a capacitor, on the nanosecond time scale. The equation of motion of a current-driven skyrmion in a quadratic energy landscape is mathematically equivalent to the differential equation characterizing an RC circuit: the applied current resembles the applied input voltage, and the skyrmion position resembles the output voltage at the capacitor. These predictions are confirmed via micromagnetic simulations. We show that such a skyrmion system reproduces the characteristic exponential voltage decay upon charging and discharging the capacitor under constant input. Furthermore, it mimics the low-pass filter behavior of RC circuits by filtering high-frequencies in periodic input signals. Since RC circuits are mathematically equivalent to the Leaky-Integrate-Fire (LIF) model widely used to describe biological neurons, our device concept can also be regarded as a perfect artificial LIF neuron.


[18] 2411.13070

Persistent Spin Dynamics in the Ising Triangular-lattice Antiferromagnet Ba$_6$Nd$_2$Ti$_4$O$_{17}$

We report results of magnetic susceptibility, specific heat, and muon spin relaxation ($\mu$SR) measurements on the polycrystalline Ba$_6$Nd$_2$Ti$_4$O$_{17}$, a disorder-free triangular-lattice antiferromagnet. The absence of long-range magnetic order or spin freezing is confirmed down to 30~mK, much less than the Curie-Weiss temperature -1.8~K. The magnetic and specific heat measurements reveal the effective-1/2 spins are Ising-like. The persistent spin dynamics is determined down to 37~mK. Our study present a remarkable example of Ising spins on the triangular lattice, which remains magnetically disordered at low temperatures and potentially hosts a quantum spin liquid ground state.


[19] 2411.13071

Orbital Description of Landau Levels

We construct a minimal lattice model to provide an orbital description of lowest and first Landau levels. With the maximally localized Wannier functions with $s$, $p_-$, $p_+$ orbital characteristics, a three-orbital model is developed, where the lowest two Chern bands are flat with $\mathcal{C}=1$. This model can be viewed as consecutive band inversions between these Wannier states at $\Gamma$ and $K$ in momentum space, which adiabatically connects the atomic insulator limit to Landau level physics. Interestingly, many-body exact diagonalization and entanglement spectrum analysis suggest that the Abelian states can appear in the 1/3-filled lowest Chern band, while the signatures of the non-Abelian states are found in the half-filled first Chern band. This construction can be further extended to realize flat Chern bands resembling the higher Landau levels. Our results offer a new perspective to understand the lattice analogue of Landau levels, potentially enabling the realization of the fascinating topological phenomena at higher temperatures.


[20] 2411.13075

Extraordinary magnetoresistance in high-quality graphene devices with daisy chains and Fermi-level pinning

We studied daisy-chained extraordinary magnetoresistance (EMR) devices based on high quality monolayer graphene encapsulated in hexagonal boron nitride (h-BN) at room temperature. The largest magnetoresistance (MR) achieved in our devices is 4.6 x 10^7 %, the record for EMR devices to date. The magnetic field sensitivity, dR/dB, reaches 104 kohm/T, exceeding the previous record set by encapsulated graphene by more than 300 %, and is comparable with state-of-the-art graphene Hall sensors at cryogenic temperatures (4.2 K). We demonstrate that daisy chaining multiple EMR devices is a new way to reach arbitrarily high sensitivity and signal-to-noise ratio, and extremely small noise equivalent field for weak magnetic field detection. Finally, we show the evidence of metal contact-induced Fermi-level pinning in the sample and its influence on graphene properties, current distribution and EMR performance. We highlight the EMR geometry as an interesting alternative to the Hall geometry for fundamental physics studies.


[21] 2411.13086

Measurement of $p$-wave contacts in an ultracold Fermi gas of $^6$Li atoms

Using radio-frequency (RF) spectroscopy, we measure the $p$-wave contacts in a Fermi gas of $^6$Li atoms near the $p$-wave Feshbach resonance. The RF spectrum exhibits clear asymptotic behavior, characterized by $\tilde{\omega}^{-1/2}$ and $\tilde{\omega}^{-3/2}$ dependencies. The magnetic-field dependence of the $p$-wave contacts agrees reasonably well with the virial expansion theory in a detuned magnetic field range, validating the theory near the Fermi temperature. The $p$-wave contacts measured in this study constitute a second dataset, complementing the data obtained from the $^{40}$K system and contributing valuable insights into $p$-wave interactions in ultracold Fermi gases.


[22] 2411.13087

Time-resolved diamond magnetic microscopy of superparamagnetic iron-oxide nanoparticles

Superparamagnetic iron-oxide nanoparticles (SPIONs) are promising probes for biomedical imaging, but the heterogeneity of their magnetic properties is difficult to characterize with existing methods. Here, we perform widefield imaging of the stray magnetic fields produced by hundreds of isolated ~30-nm SPIONs using a magnetic microscope based on nitrogen-vacancy centers in diamond. By analyzing the SPION magnetic field patterns as a function of applied magnetic field, we observe substantial field-dependent transverse magnetization components that are typically obscured with ensemble characterization methods. We find negligible hysteresis in each of the three magnetization components for nearly all SPIONs in our sample. Most SPIONs exhibit a sharp Langevin saturation curve, enumerated by a characteristic polarizing applied field, B_c. The B_c distribution is highly asymmetric, with a standard deviation (1.4 mT) that is larger than the median (0.6 mT). Using time-resolved magnetic microscopy, we directly record SPION N\'eel relaxation, after switching off a 31 mT applied field, with a temporal resolution of ~60 ms that is limited by the ring-down time of the electromagnet coils. For small bias fields B_{hold}=1.5-3.5 mT, we observe a broad range of SPION N\'eel relaxation times--from milliseconds to seconds--that are consistent with an exponential dependence on B_{hold}. Our time-resolved diamond magnetic microscopy study reveals rich SPION sample heterogeneity and may be extended to other fundamental studies of nanomagnetism.


[23] 2411.13088

Strong interaction induced dimensional crossover in 1D quantum gas

We generated a one-dimensional quantum gas confined in an elongated optical dipole trap instead of 2D optical lattices. The sample, comprising thousands of atoms, spans several hundred micrometers and allows for independent control of temperature and chemical potential using Feshbach resonance. This allows us to directly observe and investigate the spatial distribution and associated excitation of 1D quantum gas without any ensemble averaging. In this system, we observed that the dimension of 1D gas will be popped up into 3D due to strong interaction without changing any trapping confinement. During the dimensional crossover, we found that increasing the scattering length leads to the failure of 1D theories, including 1D mean field, Yang-Yang equation, and 1D hydrodynamics. Specifically, the modified Yang-Yang equation effectively describes this 1D system at temperatures beyond the 1D threshold, but it does not account for the effects of stronger interactions. Meanwhile, we observe two possible quantized plateaus of breathing-mode oscillation frequencies predicted by 1D and 3D hydrodynamics, corresponding to weak and strong interactions respectively. And there is also a universal crossover connecting two different regimes where both hydrodynamics fail.


[24] 2411.13119

Testing the generalized conjugate field formalism in the kinetic Ising model with nonantisymmetric magnetic fields: A Monte Carlo simulation study

We have performed Monte Carlo simulations for the investigation of dynamic phase transitions on a honeycomb lattice which has garnered a significant amount of interest from the viewpoint of tailoring the intrinsic magnetism in two-dimensional materials. For the system under the influence of time-dependent magnetic field sequences exhibiting the half-wave anti-symmetry, we have located a second order dynamic phase transition between dynamic ferromagnetic and dynamic paramagnetic states. Particular emphasis was devoted for the examination of the generalized conjugate field formalism previously introduced in the kinetic Ising model [\color{blue}Quintana and Berger, Phys. Rev. E \textbf{104}, 044125 (202); Phys. Rev. E \textbf{109}, 054112] \color{black}. Based on the simulation data, in the presence of a second magnetic field component with amplitude $H_{2}$ and period $P/2$, the half-wave anti-symmetry is broken and the generalized conjugate field formalism is found to be valid for the present system. However, dynamic scaling exponent significantly deviates from its equilibrium value along with the manifestation of a dynamically field polarized state for non-vanishing $H_{2}$ values.


[25] 2411.13165

Quantum transport in strongly correlated Fermi gases

Transport in strongly correlated fermions cannot be understood by fermionic quasiparticles alone. We present a theoretical framework for quantum transport that incorporates strong local correlations of fermion pairs. These contact correlations add essential contributions to viscous, thermal and sound transport coefficients. The bulk viscosity, in particular, receives its dominant contribution from pair excitations. Moreover, it can be measured elegantly by observing the response to a time-dependent scattering length even when the fluid is not moving. Rapid changes of the scattering length drive the system far out of local equilibrium, and we show how it relaxes back to equilibrium following a hydrodynamic attractor before a Navier-Stokes description becomes valid.


[26] 2411.13176

Spin-phase transition in an array of quantum rings controlled by cavity photons

We model a spin-phase transition in a two-dimensional square array, or a lateral superlattice, of quantum rings in an external perpendicular homogeneous magnetic field. The electron system is placed in a circular cylindrical far-infrared photon cavity with a single circularly symmetric photon mode. Our numerical results reveal that the spin ordering of the two-dimensional electron gas in each quantum ring can be influenced or controlled by the electron-photon coupling strength and the energy of the photons. The Coulomb interaction between the electrons is described by a spin-density functional approach, but the para- and the diamagnetic electron-photon interactions are modeled via a configuration interaction formalism in a truncated many-body Fock-space, which is updated in each iteration step of the density functional approach. In the absence of external electromagnetic pulses this spin-phase transition is replicated in the orbital magnetization of the rings. The spin-phase transition can be suppressed by a strong electron-photon interaction. In addition, fluctuations in the spin configuration are found in dynamical calculations, where the system is excited by a time-dependent scheme specially fit for emphasizing the diamagnetic electron-photon interaction.


[27] 2411.13182

Stacking-dependent ferroicity of reversed bilayer: altermagnetism or ferroelectricity

Altermagnetism, as a new branch of magnetism independent of traditional ferromagnetism and antiferromagnetism, has attracted extensive attention recently. At present, researchers have proved several kinds of three-dimensional altermagnets, but research on two-dimensional (2D) altermagnets remains elusive. Here, we propose a method for designing altermagnetism in 2D lattices: bilayer reversed stacking. This method could enable altermagnetism-type spin splitting to occur intrinsically and the spin-splitting can be controlled by crystal chirality. We also demonstrate it through a real material of bilayer PtBr$_3$ with AB' stacking order. Additionally, the combination of stacking order and slidetronics offers new opportunities for electrical writing and magnetic reading of electronic devices. In the case of AC' stacking, interlayer sliding results in reversible spontaneous polarization. This unique combination of antiferromagnetism and sliding ferroelectricity leads to polarization-controlled spin-splitting, thus enabling magnetoelectric coupling, which can be detected by magneto-optical Kerr effect even without net magnetization. Our research highlights that reversed stacking provides a platform to explore rich physical properties of magnetism, ferroelectricity, and spin-splitting.


[28] 2411.13197

Gas-induced bulging in pouch-cell batteries: a mechanical model

Over the long timescale of many charge/discharge cycles, gas formation can result in large bulging deformations of a Lithium-ion pouch cell, which is a key failure mechanism in batteries. Guided by recent experimental X-ray tomography data of a bulging cell, we propose a homogenised mechanical model to predict the shape of the deformation and the stress distribution analytically. Our model can be included in battery simulation models to capture the effects of mechanical degradation. Furthermore, with knowledge of the bending stiffness of the cathode electrodes and current collectors, and by fitting our model to experimental data, we can predict the internal pressure and the amount of gas in the battery, thus assisting in monitoring the state of health (SOH) of the cell without breaking the sealed case.


[29] 2411.13232

Dissipation in quantum tunnel junctions

Based on experimental data, we propose a model to evaluate the energy dissipated during quantum tunneling processes in solid-state junctions. This model incorporates a nonlinear friction force expressed in the general form f(x)={\gamma} v(x)^{\alpha}, where {\gamma} is the frictional coefficient, which is fitted to data. We study this by applying voltages just below the barrier height up to near break down voltages. Furthermore, by lowering the temperature and adjusting the applied voltage to the junction, the effect on dissipation caused by the variation in barrier height is examined. We underline that the crucial dependency of dissipation on the fraction of particle energy lost is modulated by two primary mechanisms: the application of voltage and the variation of temperature. The fraction of energy dissipated decreases in general for increasing energies of the tunneling particles at a given temperature. However, for a given energy of the tunneling particle, the present work demonstrates a turning point at a temperature of 137 K, after which the dissipated energy starts increasing for higher temperatures. The latter can possibly be due to the increase of electron-phonon interactions which become predominant over barrier height reduction at higher temperatures and hence we identify T = 137 K as a critical temperature for change in dissipative characteristics of the solid-state junction under consideration. Notably, also the study identifies significant changes in dissipation parameters, {\gamma} and {\alpha}, above 137 K, exhibiting a linear decline and underscoring the importance of further research at higher temperatures.


[30] 2411.13236

Quantum Micromagnetic Theory of Magnons in Finite Nanostructures

This paper presents a quantum field theoretical formalism for studying magnons in finite nanostructures with arbitrary shapes and spatially nonuniform ground states. It extends the classical micromagnetic formalism by introducing a micromagnetic Hamiltonian quantum operator, which incorporates exchange, Dzyaloshinsky-Moriya, anisotropy, magnetostatic, and Zeeman energies. The nonuniformity of the ground state is handled by pointwise aligning the quantization axis of the magnetization field operator with the classical ground state. The Hamiltonian is expanded in the large spin-number limit and truncated to retain only terms quadratic in the components of the magnetization operator transverse to the quantization axis. This quadratic Hamiltonian is used to derive the linear quantum Landau-Lifshitz equation. By diagonalizing this equation under appropriate boundary and normalization conditions, a discrete set of magnon creation and annihilation operators is obtained, enabling a complete description of the magnon spectrum. Finally, the theory is applied to study the effects of temperature and shape on low-temperature thermal equilibrium fluctuations of magnons in thin ferromagnetic nanodisks.


[31] 2411.13254

Lax random matrices from Calogero systems

We study a class of random matrices arising from the Lax matrix structure of classical integrable systems, particularly the Calogero family of models. Our focus is the density of eigenvalues for these random matrices. The problem can be mapped to analyzing the density of eigenvalues for generalized versions of conventional random matrix ensembles, including a modified form of the log-gas. The mapping comes from the underlying integrable structure of these models. Such deep connection is confirmed by extensive Monte-Carlo simulations. Thereby we move forward not only in terms of understanding such class of random matrices arising from integrable many-body systems, but also by providing a building block for the generalized hydrodynamic description of integrable systems.


[32] 2411.13273

Hydrodynamics of Lorentz symmetric systems: a quantum Monte Carlo study

We present a study on the hydrodynamic behavior of charge current in a Lorentz symmetric system: graphene at charge-neutrality. The momentum flow is completely decoupled from the charge current in this regime, since the electrons and holes propagate in opposite directions with exactly equal distribution functions. Instead of Navier-Stokes equations for the velocity field, we derive similar equations directly for the charge current. This eliminates the need for any coupling between the velocity field and charge current to explain the experimentally observed hydrodynamic flow profiles in graphene at half-filling. In this framework, the current diffusion coefficient replaces viscosity. To support this, we performed an extensive quantum Monte Carlo study, directly simulating samples with disordered edges using the underlying microscopic interacting quantum Hamiltonian. For the first time, we observe hydrodynamic behavior of the charge current in such simulations, extracting current profiles and a current diffusion coefficient whose temperature dependence qualitatively agrees with predictions from Boltzmann transport theory.


[33] 2411.13279

Characterizing the Hard and Soft Nanoparticle-Protein Corona with Multilayer Adsorption

Nanoparticles (NPs) in contact with biological fluid adsorb biomolecules into a corona. This corona comprises proteins that strongly bind to the NP (hard corona) and loosely bound proteins (soft corona) that dynamically exchange with the surrounding solution. While the kinetics of hard corona formation is relatively well understood, thanks to experiments and robust simulation models, the experimental characterization and simulation of the soft corona present a more significant challenge. Here, we review the current state of the art in soft corona characterization and introduce a novel open-source computational model to simulate its dynamic behavior, for which we provide the documentation. We focus on the case of transferrin (Tf) interacting with polystyrene NPs as an illustrative example, demonstrating how this model captures the complexities of the soft corona and offers deeper insights into its structure and behavior. We show that the soft corona is dominated by a glassy evolution that we relate to crowding effects. This work advances our understanding of the soft corona, bridging experimental limitations with improved simulation techniques.


[34] 2411.13301

Tunable surface electron gas and effect of phonons in Sr$_2$CuO$_3$: A first-principles study

While the conducting CuO$_2$ planes in cuprate superconductors have been widely recognized as a crucial component in producing high superconducting $T_\text{c}$, recent experimental and theoretical studies on Ba$_{2-x}$Sr$_x$CuO$_{3+}$$_\delta$ have also drawn much attention to the importance of Cu-O chains in one-dimensional (1D) cuprates. To better understand the cuprates containing Cu-O chains, here we have studied the electronic, magnetic, and phonon properties of Sr$_2$CuO$_3$ bulk and films based on the spin-polarized density functional theory calculations. We first reproduced the typical Mott insulator feature of the cuprate parent compound for bulk Sr$_2$CuO$_3$, and then built a Sr$_2$CuO$_3$ thin film with Cu-O chains exposed on the surface to directly investigate their characteristics. Different from the insulating bulk phase, the Sr$_2$CuO$_3$ surface shows interesting metallic properties. Further electronic structure calculations reveal the existence of spin-polarized electron gas between surface Sr atoms that strongly depends on the interchain coupling of Cu spins. Moreover, the phonon modes that involve the vibrations of in-chain and out-of-chain O atoms can induce strong charge and spin fluctuations in the surface layer of Sr$_2$CuO$_3$ film, which suggests significant multiple degree-of-freedom couplings that may be important for the superconductivity in 1D cuprates. Our work provides a comprehensive viewpoint of the properties of Cu-O chains in Sr$_2$CuO$_3$, facilitating a complete understanding of 1D cuprate superconductors.


[35] 2411.13319

Adiabatic Spin and Orbital Pumping in Metallic Heterostructures

In this study, we investigate the spin and orbital densities induced by magnetization dynamics in a planar bilayer heterostructure. To do this, we employed a theory of adiabatic pumping using the Keldysh formalism and Wigner expansion. We first conduct simulations on a model system to determine the parameters that control the spin and orbital pumping into an adjacent non-magnetic metal. We conclude that, in principle, the orbital pumping can be as significant as spin pumping when the spin-orbit coupling is present in the ferromagnet. We extend the study to realistic heterostructures involving heavy metals (W, Pt, Au) and light metals (Ti, Cu) by using first-principles calculations. We demonstrate that orbital pumping is favored in metals with $d$ states close to the Fermi level, such as Ti, Pt, and W, but is quenched in materials lacking such states, such as Cu and Au. Orbital injection is also favored in materials with strong spin-orbit coupling, leading to large orbital pumping in Ni/(Pt, W) bilayers.


[36] 2411.13320

Shear-resistant topology in quasi one-dimensional van der Waals material Bi$_4$Br$_4$

Bi$_4$Br$_4$ is a prototypical quasi one-dimensional (1D) material in which covalently bonded bismuth bromide chains are arranged in parallel, side-by-side and layer-by-layer, with van der Waals (vdW) gaps in between. So far, two different structures have been reported for this compound, $\alpha$-Bi$_4$Br$_4$ and $\beta$-Bi$_4$Br$_4$ , in both of which neighboring chains are shifted by $\mathbf{b}/2$, i.e., half a unit cell vector in the plane, but which differ in their vertical stacking. While the different layer arrangements are known to result in distinct electronic properties, the effect of possible in-plane shifts between the atomic chains remains an open question. Here, using scanning tunneling microscopy and spectroscopy (STM/STS), we report a new Bi$_4$Br$_4$(001) structure, with a shift of $\mathbf{b}/3$ between neighboring chains in the plane and AB layer stacking. We determine shear strain to be the origin of this new structure, which can readily result in shifts of neighboring atomic chains because of the weak inter-chain bonding. For the observed $b/3$ structure, the (residual) atomic chain shift corresponds to an in-plane shear strain of $\gamma\approx7.5\%$. STS reveals a bulk insulating gap and metallic edge states at surface steps, indicating that the new structure is also a higher-order topological insulator, just like $\alpha$-Bi$_4$Br$_4$, in agreement with density functional theory (DFT) calculations.


[37] 2411.13330

Electronic and optical properties of computationally predicted Na-K-Sb crystals

Thanks to their favorable electronic and optical properties, sodium-potassium-antimonides are an emerging class of crystals used as photocathodes in particle accelerators. The persisting challenges related to the synthesis and characterization of these materials demand support from theory and make the study of computationally predicted polymorphs particularly relevant to identifying the structure and composition of the samples. Using first-principles methods based on density-functional theory and many-body perturbation theory, the electronic and optical properties of cubic NaK$_{2}$Sb and hexagonal Na$_{2}$KSb are studied. Both systems, most commonly found in the hexagonal and cubic phase, respectively, exhibit an indirect fundamental gap that is energetically very close to the direct band gap at $\Gamma$ of magnitude 0.81 eV for NaK$_{2}$Sb and 0.70 eV for Na$_{2}$KSb. In the band structure of both materials, Sb $p$-states dominate the valence region with minor contributions from the alkali $p$-states, while the alkali $s$-states mainly contribute at lower energies. The optical spectra of both crystals are not subject to sizeable excitonic effects, except for a redshift of the excitation energies of the 50-100 meV and some redistribution of the oscillator strength beyond the lowest-energy peak in the near-infrared region. Our results indicate that computationally predicted cubic NaK$_{2}$Sb and hexagonal Na$_{2}$KSb have favorable characteristics as photocathodes and, as such, their presence in polycrystalline samples is not detrimental for these applications.


[38] 2411.13342

On free energy of non-convex multi-species spin glasses

In [arXiv:2311.08980], it was shown that if the limit of the free energy in a non-convex vector spin glass model exists, it must be a critical value of a certain functional. In this work, we extend this result to multi-species spin glass models with non-convex interactions, where spins from different species may lie in distinct vector spaces. Since the species proportions may be irrational and the existence of the limit of the free energy is not generally known, non-convex multi-species models cannot be approximated by vector spin models in a straightforward manner, necessitating more careful treatment.


[39] 2411.13355

Phase-Biased Andreev Diffraction Grating

In optical diffraction, the phase difference between sources in a grating or multi-slit mask is determined by the angle to the imaging screen, yielding the familiar multi-lobed diffraction image. Here, we realize a similar phenomenon in a superconductor-semiconductor hybrid circuit configured to allow Andreev scattering from multiple parallel scatterers. Phase differences between scatterers are set by tapping off of a remote superconducting meander. We investigate arrays with two, three, four, and ten Andreev scatterers, examining local and nonlocal diffraction patterns, finding good agreement with a theory of multiple Andreev scattering. Adding current-carrying taps to the meander allows individual phase control.


[40] 2411.13357

Topological comparison of flexible and semiflexible chains in polymer melts with $θ$-chains

A central paradigm of polymer physics states that chains in melts behave like random walks as intra- and interchain interactions effectively cancel each other out. Likewise, $\theta$-chains, i.e., chains at the transition from a swollen coil to a globular phase, are also thought to behave like ideal chains, as attractive forces are counterbalanced by repulsive entropic contributions. While the simple mapping to an equivalent Kuhn chain works rather well in most scenarios with corrections to scaling, random walks do not accurately capture the topology and knots particularly for flexible chains. In this paper, we demonstrate with Monte Carlo and molecular dynamics simulations that chains in polymer melts and $\theta$-chains not only agree on a structural level for a range of stiffnesses, but also topologically. They exhibit similar knotting probabilities and knot sizes, both of which are not captured by ideal chain representations. This discrepancy comes from the suppression of small knots in real chains, which is strongest for very flexible chains because excluded volume effects are still active locally and become weaker with increasing semiflexibility. Our findings suggest that corrections to ideal behavior are indeed similar for the two scenarios of real chains and that structure and topology of a chain in a melt can be approximately reproduced by a corresponding $\theta$-chain.


[41] 2411.13359

Sedimentation and structure of squirmer suspensions under gravity

The effect of gravity on the collective motion of living microswimmers, such as bacteria and micro-algae, is pivotal to unravel not only bio-convection patterns but also the settling of bacterial biofilms on solid surfaces. In this work, we investigate suspensions of microswimmers under the influence of a gravitational field and hydrodynamics, simulated via dissipative particle dynamics (DPD) coarse-grained model. We first study the collective sedimentation of passive colloids and microswimmers of the puller and pusher types upon increasing the imposed gravitational field and compare with previous results. Once sedimentation occurs, we observe that, as the gravitational field increases, the bottom layer undergoes a transition to an ordered state compatible with a hexagonal crystal. In comparison with passive colloids, both pullers and pushers easily rearrange at the bottom layer to anneal defects. Specifically, pullers are better than pushers in preserving the hexagonal order of the bottom mono-layer at high gravitational fields.


[42] 2411.13364

Effective dimensional reduction of complex systems based on tensor networks

The exact treatment of Markovian models of complex systems requires knowledge of probability distributions exponentially large in the number of components $n$. Mean-field approximations provide an effective reduction in complexity of the models, requiring only a number of phase space variables polynomial in system size. However, this comes at the cost of losing accuracy close to critical points in the systems dynamics and an inability to capture correlations in the system. In this work, we introduce a tunable approximation scheme for Markovian spreading models on networks based on Matrix Product States (MPS). By controlling the bond dimensions of the MPS, we can investigate the effective dimensionality needed to accurately represent the exact $2^n$ dimensional steady-state distribution. We introduce the entanglement entropy as a measure of the compressibility of the system and find that it peaks just after the phase transition on the disordered side, in line with the intuition that more complex states are at the 'edge of chaos'. We compare the accuracy of the MPS with exact methods on different types of small random networks and with Markov Chain Monte Carlo methods for a simplified version of the railway network of the Netherlands with 55 nodes. The MPS provides a systematic way to tune the accuracy of the approximation by reducing the dimensionality of the systems state vector, leading to an improvement over second-order mean-field approximations for sufficiently large bond dimensions.


[43] 2411.13399

Numerical study of bi-layer two-orbital model for La$_{3}$Ni$_{2}$O$_{7}$ on a plaquette ladder

The recently discovered high-$T_c$ superconductivity in La$_{3}$Ni$_{2}$O$_{7}$ with $T_c \approx 80K$ provides another intriguing platform to explore the microscopic mechanism of unconventional superconductivity. In this work, we study a previously proposed bi-layer two-orbital model Hamiltonian for La$_{3}$Ni$_{2}$O$_{7}$ [Y. Shen, et al, Chinese Physics Letters 40, 127401 (2023)] on a plaquette ladder, which is a minimum setup with two-dimensional characteristic. We employ large-scale Density Matrix Renormalization Group calculations to accurately determine the ground state of the model. We determine the density, magnetic structure, and the pairing property of the model. We find that with large effective inter-layer anti-ferromagnetic exchange for the 3$d_{z^2}$ orbital, both spin, charge, and pairing correlation display quasi-long-range behavior, which could be viewed as a precursor of possible true long-range order in the two dimensional limit. Interestingly, sign oscillation for the pairing correlation are observed for both the 3$d_{x^2-y^2}$ and 3$d_{z^2}$ orbitals, indicating the presence of possible pair density wave in the system. Even though we only study the model on a quasi one-dimensional plaquette ladder geometry due to the computational difficulty, the results on the spin, charge, and pairing correlation provide valuable insight in the clarification of the properties of La$_{3}$Ni$_{2}$O$_{7}$ in the future.


[44] 2411.13408

Current noise in quantum dot thermoelectric engines

We theoretically investigate a thermoelectric heat engine based on a single-level quantum dot, calculating average quantities such as current, heat current, output power, and efficiency, as well as fluctuations (noise). Our theory is based on a diagrammatic expansion of the memory kernel together with counting statistics, and we investigate the effects of strong interactions and next-to-leading order tunneling. Accounting for next-to-leading order tunneling is crucial for a correct description when operating at high power and high efficiency, and in particular affect the qualitative behavior of the Fano factor and efficiency. We compare our results with the so-called thermodynamic uncertainty relations, which provide a lower bound on the fluctuations for a given efficiency. In principle, the conventional thermodynamic uncertainty relations can be violated by the non-Markovian quantum effects originating from next-to-leading order tunneling, providing a type of quantum advantage. However, for the specific heat engine realization we consider here, we find that next-to-leading order tunneling does not lead to such violations, but in fact always pushes the results further away from the bound set by the thermodynamic uncertainty relations.


[45] 2411.13414

Wavenumber-dependent magnetic losses in YIG-GGG heterostructures at millikelvin temperatures

Magnons have inspired potential applications in modern quantum technologies and hybrid quantum systems due to their intrinsic nonlinearity, nanoscale scalability, and a unique set of experimentally accessible parameters for manipulating their dispersion. Such magnon-based quantum technologies demand long decoherence times, millikelvin temperatures, and minimal dissipation. Due to its low magnetic damping, the ferrimagnet yttrium iron garnet (YIG), grown on gadolinium gallium garnet (GGG), is the most promising material for this objective. To comprehend the magnetic losses of propagating magnons in such YIG-GGG heterostructures at cryogenic temperatures, we investigate magnon transport in a micrometer-thick YIG sample via propagating spin-wave spectroscopy (PSWS) measurements for temperatures between 4K to 26mK. We demonstrate an increase in the dissipation rate with wavenumber at cryogenic temperatures, caused by dipolar coupling to the partially magnetized GGG substrate. Additionally, we observe a temperature-dependent decrease in spin-wave transmission, attributed to rare earth ion relaxations. The critical role of the additional dissipation channels at cryogenic temperatures is underpinned by the comparison of the experimental results with theoretical calculations and micromagnetic simulations. Our findings strengthen the understanding of magnon losses at millikelvin temperatures, which is essential for the future detection of individual propagating magnons.


[46] 2411.13417

Non-Perturbative Feats in the Physics of Correlated Antiferromagnets

In the last decades multifaceted manifestations of the breakdown of the self-consistent perturbation theory have been identified for the many-electron problem. Yet, the investigations have been so far mostly limited to paramagnetic states, where symmetry breaking is not allowed. Here, we extend the analysis to the spontaneously symmetry-broken antiferromagnetic (AF) phase of the repulsive Hubbard model. To this aim, we calculated two-particle quantities using dynamical mean-field theory for the AF-ordered Hubbard model and studied the possible occurrence of divergences of the irreducible vertex functions in the charge and spin sectors. Our calculations pinpoint the divergences in the AF phase diagram, showing that while the onset of AF order mitigates the breakdown of the perturbation expansion, it does not fully prevent it. Moreover, we have been able to link the changes in the dynamical structure of the corresponding generalized susceptibilities to the physical crossover from a weak-coupling (Slater) to a strong-coupling (Heisenberg) antiferromagnet, which takes place as the interaction strength is gradually increased. Finally, we discuss possible physical consequences of the irreducible vertex divergences in triggering phase-separation instabilities within the AF phase and elaborate on the implications of our findings for two-dimensional systems, where the onset of a long-range AF order is prevented by the Mermin-Wagner theorem.


[47] 2411.13418

Thermal Entropy, Density Disorder and Antiferromagnetism of Repulsive Fermions in 3D Optical Lattice

The celebrated antiferromagnetic phase transition was realized in a most recent optical lattice experiment for 3D fermionic Hubbard model [Shao {\it et al}., Nature {\bf 632}, 267 (2024)]. Despite the great achievement, it was observed that the AFM structure factor (and also the critical entropy) reaches the maximum around the interaction strength $U/t\simeq 11.75$, which is significantly larger than the theoretical prediction as $U/t\simeq 8$. Here we resolve this discrepancy by studying the interplay between the thermal entropy, density disorder and antiferromagnetism of half-filled 3D Hubbard model with numerically exact auxiliary-field quantum Monte Carlo simulations. We have achieved accurate entropy phase diagram, which allows us to simulate arbitrary entropy path on the temperature-interaction plane and to track the experimental parameters. We then find that above discrepancy can be quantitatively explained by the {\it entropy increase} as enhancing the interaction in experiment, and together by the lattice {\it density disorder} existing in the experimental setup. We furthermore investigate the entropy dependence of double occupancy, and predict its universal behaviors which can be used as useful probes in future optical lattice experiments.


[48] 2411.13429

Coulomb impurities in graphene driven by fast ions

We provide a theoretical model for electronic transitions in a two-dimensional (2D) artificial atom in a graphene monolayer. The artificial atom is due to the presence of a charged adatom (Coulomb impurity) in the layer and interacts with a fast ultrarelativistic ion moving parallel to the layer. We compute the probability and cross sections for the corresponding electronic transitions by means of an exact solution of the time-dependent 2D Dirac equation describing the interaction of the planar atom with the electromagnetic field of the ultrarelativistic projectile.


[49] 2411.13433

Symmetry breaking in two dimensions on ultra-fast time scales

Melting of two-dimensional mono-crystals is described within the celebrated Kosterlitz-Thouless-Halperin-Nelson-Young scenario (KTHNY-Theory) by the dissociation of topological defects. It describes the shielding of elasticity due to thermally activated topological defects until shear elasticity disappears. As a well defined continuous phase transition, freezing and melting should be reversible and independent of history. However, this is not the case: cooling an isotropic 2D fluid with a finite but nonzero rate does not end in mono-crystals. The symmetry can not be broken globally but only locally in the thermodynamic limit due to the critical slowing down of order parameter fluctuations. This results in finite sized domains with the same order parameter. For linear cooling rates, the domain size is described by the Kibble-Zurek mechanism, originally developed for the defect formation of the primordial Higgs-field shortly after the Big-Bang. In the present manuscript, we investigate the limit of the deepest descent quench on a colloidal monolayer and resolve the time dependence of structure formation for (local) symmetry breaking. Quenching to various target temperatures below the melting point (deep in the crystalline phase and just close to the transition), we find universal behaviour if the timescale is re-scaled properly.


[50] 2411.13445

Elucidating chirality transfer in liquid crystals of viruses

Chirality is ubiquitous in nature across all length scales, with major implications spanning the fields of biology, chemistry and physics to materials science. How chirality propagates from nanoscale building blocks to meso- and macroscopic helical structures remains an open issue. Here, working with a canonical system of filamentous viruses, we demonstrate that their self-assembly into chiral liquid crystal phases quantitatively results from the interplay between two main mechanisms of chirality transfer: electrostatic interactions from the helical charge patterns on the virus surface, and fluctuation-based helical deformations leading to viral backbone helicity. Our experimental and theoretical approach provides a comprehensive framework for deciphering how chirality is hierarchically and quantitatively propagated across spatial scales. Our work highlights the ways in which supramolecular helicity may arise from subtle chiral contributions of opposite handedness which either act cooperatively or competitively, thus accounting for the multiplicity of chiral behaviors observed for nearly identical molecular systems.


[51] 2411.13463

Dense Suspensions in Rotary Shear

We introduce a novel unsteady shear protocol, which we name Rotary Shear (RS), where the flow and vorticity directions are continuously rotated around the velocity gradient direction by imposing two out-of-phase oscillatory shear (OS) in orthogonal directions. We perform numerical simulations of dense suspensions of rigid non-Brownian spherical particles at volume fractions ($\phi$) between 0.40 and 0.55 subject to this new RS protocol and compare to the classical OS protocol. We find that the suspension viscosity displays a similar non-monotonic response as the strain amplitude ($\gamma_0$) is increased: a minimum viscosity is found at an intermediate, volume-fraction dependent strain amplitude. However, the suspension dynamics is different in the new protocol. Unlike the OS protocol, suspensions under RS do not show self-adsorbing states at any $\gamma_0$ and do not undergo the reversible-irreversible transition: the stroboscropic particle dynamics are always diffusive, which we attribute to the fact that the RS protocol is irreversible. To validate this hypothesis, we introduce a reversible-RS (RRS) protocol, a combination of RS and OS, where we rotate the shear direction (as in RS) until it is instantaneously reversed (as in OS), and find the resulting rheology and dynamics to be closer to OS. Detailed microstructure analysis shows that both the OS and RRS protocols result in a contact-free, isotropic to an in-contact, anisotropic microstructure at the dynamically reversible-to-irreversible transition. The RS protocol does not render such a transition, and the dynamics remain diffusive with an in-contact, anisotropic microstructure for all strain amplitudes.


[52] 2411.13467

The Dean-Kawasaki equation and stochastic density functional theory

The Dean-Kawasaki (DK) equation, which is at the basis of stochastic density functional theory (SDFT), was proposed in the mid-nineties to describe the evolution of the density of interacting Brownian particles, which can represent a large number of systems such as colloidal suspensions, supercooled liquids, polymer melts, biological molecules, active or chemotactic particles, or ions in solution. This theoretical framework, which can be summarized as a mathematical reformulation of the coupled overdamped Langevin equations that govern the dynamics of the particles, has attracted a significant amount of attention during the past thirty years. In this review, I present the context in which this framework was introduced, and I recall the main assumptions and calculation techniques that are employed to derive the DK equation. Then, in the broader context of statistical mechanics, I show how SDFT is connected to other theories, such fluctuating hydrodynamics, macroscopic fluctuation theory, or mode-coupling theory. The mathematical questions that are raised by the DK equation are presented in a non-specialist language. In the last parts of the review, I show how the original result was extended in several directions, I present the different strategies and approximations that have been employed to solve the DK equation, both analytically and numerically. I finally list the different situations where SDFT was employed to describe the fluctuations of Brownian suspensions, from the physics of active matter to the description of charged particles and electrolytes.


[53] 2411.13478

Crystal to liquid cross-over in the active Calogero-Moser model

We consider a one-dimensional system comprising of $N$ run-and-tumble particles confined in a harmonic trap interacting via a repulsive inverse-square power-law interaction. This is the ``active" version of the Calogero-Moser system where the particles are associated with telegraphic noise with two possible states $\pm v_0$. We numerically compute the global density profile in the steady state which shows interesting crossovers between three different regimes: as the activity increases, we observe a change from a density with sharp peaks characteristic of a crystal region to a smooth bell-shaped density profile, passing through the intermediate stage of a smooth Wigner semi-circle characteristic of a liquid phase. We also investigate analytically the crossover between the crystal and the liquid regions by computing the covariance of the positions of these particles in the steady state in the weak noise limit. It is achieved by using the method introduced in Touzo {\it et al.} [Phys. Rev. E {\bf 109}, 014136 (2024)] to study the active Dyson Brownian motion. Our analytical results are corroborated by thorough numerical simulations.


[54] 2411.13480

New insight into quantifying vacancy distribution in self-ion irradiated tungsten: a combined experimental and computational study

In this work, we propose a new approach based on positron annihilation spectroscopy to estimate the concentration of vacancy-type defects induced by self-ion irradiation in tungsten at room temperature, 500, and 700{\deg}C. Using experimental and Two-component density functional theory calculated annihilation characteristics of various vacancy clusters V$_{n}$ ($n$=1-65) and a positron trapping model associated with the simulated annealing algorithm, vacancy cluster concentration distribution could be extracted from experimental data. The method was validated against simulation results for room-temperature irradiation and transmission electron microscopy observations for higher temperatures. After irradiation at 500 and 700{\deg}C, small clusters (<20 vacancies, ~0.85 nm) undetectable by TEM were unveiled, with concentrations exceeding 10$^{25}$ m$^{-3}$, significantly higher than the concentration of TEM-visible defects (10$^{24}$ m$^{-3}$). Moreover, incorporating an oxygen-vacancy complex is deemed necessary to accurately replicate experimental data in samples subjected to high-temperature irradiation.


[55] 2411.13488

Evidence of anisotropic three-dimensional weak-localization in TiSe$_{2}$ nanoflakes

TiSe$_2$ is a typical transition-metal dichalcogenide known for its charge-density wave order. In this study, we report the observation of an unusual anisotropic negative magnetoresistance in exfoliated TiSe$_2$ nanoflakes at low temperatures. Unlike the negative magnetoresistance reported in most other transition-metal dichalcogenides, our results cannot be explained by either the conventional two-dimensional weak localization effect or the Kondo effect. A comprehensive analysis of the data suggests that the observed anisotropic negative magnetoresistance in TiSe$_2$ flakes is most likely caused by the three-dimensional weak localization effect. Our findings contribute to a deeper understanding of the phase-coherent transport processes in TiSe$_2$.


[56] 2411.13511

Universal properties of Wigner delay times and resonance widths of tight-binding random graphs

The delay experienced by a probe due to interactions with a scattering media is highly related to the internal dynamics inside that media. This property is well captured by the Wigner delay time and the resonance widths. By the use of the equivalence between the adjacency matrix of a random graph and the tight-binding Hamiltonian of the corresponding electronic media, the scattering matrix approach to electronic transport is used to compute Wigner delay times and resonance widths of Erd\"os-R\'enyi graphs and random geometric graphs, including bipartite random geometric graphs. In particular, the situation when a single-channel lead attached to the graphs is considered. Our results show a smooth crossover towards universality as the graphs become complete. We also introduce a parameter $\xi$, depending on the graph average degree $\langle k \rangle$ and graph size $N$, that scales the distributions of both Wigner delay times and resonance widths; highlighting the universal character of both distributions. Specifically, $\xi = \langle k \rangle N^{-\alpha}$ where $\alpha$ is graph-model dependent.


[57] 2411.13512

Dyson Brownian motion and random matrix dynamics of weight matrices during learning

During training, weight matrices in machine learning architectures are updated using stochastic gradient descent or variations thereof. In this contribution we employ concepts of random matrix theory to analyse the resulting stochastic matrix dynamics. We first demonstrate that the dynamics can generically be described using Dyson Brownian motion, leading to e.g. eigenvalue repulsion. The level of stochasticity is shown to depend on the ratio of the learning rate and the mini-batch size, explaining the empirically observed linear scaling rule. We verify this linear scaling in the restricted Boltzmann machine. Subsequently we study weight matrix dynamics in transformers (a nano-GPT), following the evolution from a Marchenko-Pastur distribution for eigenvalues at initialisation to a combination with additional structure at the end of learning.


[58] 2411.13529

Probing the Electronic Structure at the Boundary of Topological Insulators in the $\mathrm{Bi}_2\mathrm{Se}_3$ Family by Combined STM and AFM

We develop a numerical scheme for the calculation of tunneling current $I$ and differential conductance $\mathsf{d}I/\mathsf{d}V$ of metal and CO-terminated STM tips on the topological insulators $\mathrm{Bi}_2\mathrm{Se}_3$, $\mathrm{Bi}_2\mathrm{Te}_2\mathrm{Se}$ and $\mathrm{Bi}_2\mathrm{Te}_3$ and find excellent agreement with experiment. The calculation is an application of Chen's derivative rule, whereby the Bloch functions are obtained from Wannier interpolated tight-binding Hamiltonians and maximally localized Wannier functions from first-principle DFT+$GW$ calculations. We observe signatures of the topological boundary modes, their hybridization with bulk bands, Van Hove singularities of the bulk bands and characterize the orbital character of these electronic modes using the high spatial resolution of STM and AFM. Bare DFT calculations are insufficient to explain the experimental data, which are instead accurately reproduced by many-body corrected $GW$ calculations.


[59] 2411.13554

Possible High-Temperature Superconductivity Driven by Perpendicular Electric Field in the La$_3$Ni$_2$O$_7$ Single-Bilayer Film at Ambient Pressure

The discovery of high-temperature superconductivity (HTSC) in pressurized La$_3$Ni$_2$O$_7$ has aroused a surge in the exploration of HTSC in the multilayer nickelates. Presently, while HTSC is only found in pressurized circumstance, most of the experimental detections are performed at ambient pressure (AP) due to technical problems. Here we focus on the single-bilayer film of La$_3$Ni$_2$O$_7$ at AP, and propose that an imposed strong perpendicular electric field can strongly enhance its superconducting $T_c$. The reasons lies as follow. Under strong electric field, the layer with lower potential energy will accept electrons flowing from the other layer to fill in the Ni-$3d_{x^2-y^2}$ orbitals in this layer, as the nearly half-filled Ni-$3d_{z^2}$ orbital in this layer cannot accommodate more electrons. With the enhancement of the filling fraction in the $3d_{x^2-y^2}$ orbitals in this layer, the interlayer s-wave pairing will be subjected to the pair-breaking effect and be suppressed, but the intralayer d-wave pairing in this layer is promptly and strongly enhanced, which mimics the cuprates. Our combined simplified one-orbital study and comprehensive two-orbital one under mean-field treatment consistently verify this idea and yield that an imposed voltage of about $0.1\sim0.2$ volt between the two layers is enough to get the HTSC at AP. Our results appeal for experimental verification.


[60] 2405.10245

A Graph-Theoretical Framework to Analyse Zero Discord Quantum States

This article comprehensively explores matrices and their prerequisites for achieving positive semidefiniteness. The study delves into a series of theorems concerning pure quantum states in the context of weighted graphs. The main objective of this study is to establish a graph-theoretic framework for the study of quantum discord and to identify the necessary and sufficient conditions for zero quantum discord states using unitary operators. This research aims to advance the understanding of quantum discord and its implications for quantum information theory with a graph-theoretic framework.


[61] 2411.04293

A Random-Key Optimizer for Combinatorial Optimization

This paper presents the Random-Key Optimizer (RKO), a versatile and efficient stochastic local search method tailored for combinatorial optimization problems. Using the random-key concept, RKO encodes solutions as vectors of random keys that are subsequently decoded into feasible solutions via problem-specific decoders. The RKO framework is able to combine a plethora of classic metaheuristics, each capable of operating independently or in parallel, with solution sharing facilitated through an elite solution pool. This modular approach allows for the adaptation of various metaheuristics, including simulated annealing, iterated local search, and greedy randomized adaptive search procedures, among others. The efficacy of the RKO framework, implemented in C++, is demonstrated through its application to three NP-hard combinatorial optimization problems: the alpha-neighborhood p-median problem, the tree of hubs location problem, and the node-capacitated graph partitioning problem. The results highlight the framework's ability to produce high-quality solutions across diverse problem domains, underscoring its potential as a robust tool for combinatorial optimization.


[62] 2411.12362

Quantum memory circuit for ion channel dynamics in the nervous system

The opening or closing mechanism of a voltage-gated ion channel is triggered by the potential difference crossing the cell membrane in the nervous system. Based on this picture, we model the ion channel as a nanoscale two-terminal ionic tunneling junction. External time-varying voltage exerting on the two-terminal ionic tunneling junction mimics the stimulation of neurons from the outside. By deriving the quantum Langevin equation from quantum mechanics, the ion channel current is obtained by the quantum tunneling of ions controlled by the time-varying voltage. The time-varying voltage induces an effective magnetic flux which causes quantum coherence in ion tunnelings and leads to sideband effects in the ion channel current dynamics. The sideband effects in the ionic current dynamics manifest a multi-crossing hysteresis in the I-V curve, which is the memory dynamics responding to the variation of the external voltage. Such memory dynamics is defined as the active quantum memory with respect to the time-varying stimuli. We can quantitatively describe how active quantum memory is generated and changed. We find that the number of the non-zero cross points in the I-V curve hysteresis and the oscillation of the differential conductance are the characteristics for quantitatively describing the active quantum memory. We also explore the temperature dependence of the active quantum memory in such a system. The discovery of this active quantum memory characteristics provides a new understanding about the underlying mechanism of ion channel dynamics.


[63] 2411.12782

Multiplexed readout of ultrasensitive bolometers

Recently, ultrasensitive calorimeters have been proposed as a resource-efficient solution for multiplexed qubit readout in superconducting large-scale quantum processors. However, experiments demonstrating frequency multiplexing of these superconductor-normal conductor-superconductor (SNS) sensors are coarse. To this end, we present the design, fabrication, and operation of three SNS sensors with frequency-multiplexed input and probe circuits, all on a single chip. These devices have their probe frequencies in the range \SI{150}{\mega\hertz} -- \SI{200}{\mega\hertz}, which is well detuned from the heater frequencies of \SI{4.4}{\giga\hertz} -- \SI{7.6}{\giga\hertz} compatible with typical readout frequencies of superconducting qubits. Importantly, we show on-demand triggering of both individual and multiple low-noise SNS bolometers with very low cross talk. These experiments pave the way for multiplexed bolometric characterization and calorimetric readout of multiple qubits, a promising step in minimizing related resources such as the number of readout lines and microwave isolators in large-scale superconducting quantum computers.


[64] 2411.12794

A Universal Protocol for Quantum-Enhanced Sensing via Information Scrambling

We introduce a novel protocol, which enables Heisenberg-limited quantum-enhanced sensing using the dynamics of any interacting many-body Hamiltonian. Our approach - dubbed butterfly metrology - utilizes a single application of forward and reverse time evolution to produce a coherent superposition of a "scrambled" and "unscrambled" quantum state. In this way, we create metrologically-useful long-range entanglement from generic local quantum interactions. The sensitivity of butterfly metrology is given by a sum of local out-of-time-order correlators (OTOCs) - the prototypical diagnostic of quantum information scrambling. Our approach broadens the landscape of platforms capable of performing quantum-enhanced metrology; as an example, we provide detailed blueprints and numerical studies demonstrating a route to scalable quantum-enhanced sensing in ensembles of solid-state spin defects.


[65] 2411.12797

Stabilizer Scars

Quantum many-body scars are eigenstates in non-integrable isolated quantum systems that defy typical thermalization paradigms, violating the eigenstate thermalization hypothesis and quantum ergodicity. We identify exact analytic scar solutions in a 2 + 1 dimensional lattice gauge theory in a quasi-1d limit as zero-magic stabilizer states. We propose a protocol for their experimental preparation, presenting an opportunity to demonstrate a quantum over classical advantage via simulating the non-equilibrium dynamics of a strongly coupled system. Our results also highlight the importance of magic for gauge theory thermalization, revealing a connection between computational complexity and quantum ergodicity.


[66] 2411.12806

D-commuting SYK model: building quantum chaos from integrable blocks

We construct a new family of quantum chaotic models by combining multiple copies of integrable commuting SYK models. As each copy of the commuting SYK model does not commute with others, this construction breaks the integrability of each commuting SYK and the family of models demonstrates the emergence of quantum chaos. We study the spectrum of this model analytically in the double-scaled limit. As the number of copies tends to infinity, the spectrum becomes compact and equivalent to the regular SYK model. For finite $d$ copies, the spectrum is close to the regular SYK model in UV but has an exponential tail $e^{E/T_c}$ in the IR. We identify the reciprocal of the exponent in the tail as a critical temperature $T_c$, above which the model should be quantum chaotic. $T_c$ monotonically decreases as $d$ increases, which expands the chaotic regime over the non-chaotic regime. We propose the existence of a new phase around $T_c$, and the dynamics should be very different in two phases. We further carry out numeric analysis at finite $d$, which supports our proposal. Given any finite dimensional local Hamiltonian, by decomposing it into $d$ groups, in which all terms in one group commute with each other but terms from different groups may not, our analysis can give an estimate of the critical temperature for quantum chaos based on the decomposition. We also comment on the implication of the critical temperature to future quantum simulations of quantum chaos and quantum gravity.


[67] 2411.12810

The d-electron contribution to the stopping power of transition metals

We present a new non-perturbative model to describe the stopping power by ionization of the $d$-electrons of transition metals. These metals are characterized by the filling of the d-subshell and the promotion of part of the electrons to the conduction band. The contribution of d-electrons at low-impact energies has been noted experimentally in the past as a break of the linear dependence of the stopping power with the ion velocity. In this contribution, we describe the response of these electrons considering the atomic "inhomogeneous" momentum distribution. We focus on the transition metals of Groups 10 and 11 in the periodic table: Ni, Pd, Pt, Cu, Ag, and Au. Results describe the low energy-stopping power, with good agreement with the experimental data and available TDDFT results. By combining the present non-perturbative model for the $d$-subshell contribution with other approaches for the valence electrons and for the inner shells, we provide a coherent theoretical method capable of describing the stopping power of these transition metals from the very low to the high energy region.


[68] 2411.12816

Intertwined Quantum Phase Transitions in Bose and Bose-Fermi Systems

Pronounced structural changes within individual configurations (Type I QPT), superimposed on an abrupt crossing of these configurations (Type II QPT), define the notion of intertwined quantum phase transitions (QPTs). We discuss and present evidence for such a scenario in finite Bose and Bose-Fermi systems. The analysis is based on algebraic models with explicit configuration mixing, where the two types of QPTs describe shape-phase transitions in-between different dynamical symmetries and shape-coexistence with crossing.


[69] 2411.12905

Nonlinear optics in 2D materials: from classical to quantum

Nonlinear optics has long been a cornerstone of modern photonic technology, enabling a wide array of applications, from frequency conversion to the generation of ultrafast light pulses. Recent breakthroughs in two-dimensional (2D) materials have opened a frontier in this field, offering new opportunities for both classical and quantum nonlinear optics. These atomically thin materials exhibit strong light-matter interactions and large nonlinear responses, thanks to their tunable lattice symmetries, strong resonance effects, and highly engineerable band structures. In this paper, we explore the potential that 2D materials bring to nonlinear optics, covering topics from classical nonlinear optics to nonlinearities at the few-photon level. We delve into how these materials enable possibilities, such as symmetry control, phase matching, and integration into photonic circuits. The fusion of 2D materials with nonlinear optics provides insights into the fundamental behaviors of elementary excitations such as electrons, excitons, and photons in low dimensional systems and has the potential to transform the landscape of next-generation photonic and quantum technologies.


[70] 2411.12934

Parisi-Sourlas Supertranslation and Scale without Conformal symmetry

Inspired by the possibility of emergent supersymmetry in critical random systems, we study a field theory model with a quartic potential of one superfield, possessing the Parisi-Sourlas supertranslation symmetry. Within perturbative $\epsilon$ expansion, we find nine non-trivial scale invariant renormalization group fixed points, but only one of them is conformal. We, however, believe scale invariance without conformal invariance cannot occur without a sophisticated mechanism because it predicts the existence of a non-conserved but non-renormalized vector operator called virial current, whose existence must be non-generic. We show that the virial current in this model is related to the supercurrent by supertranslation. The supertranslation Ward-Takahashi identity circumvents the genericity argument, explaining its non-renormalization property.


[71] 2411.12942

The Influence of Thermal Fluctuations on Bosonic Correlations and the AC Stark Effect in Two-Level Atoms: A Superstatistical Perspective

We study the influence of thermal fluctuations on the two-time correlation functions of bosonic baths within a superstatistics framework by assuming that fluctuations follow the gamma distribution. We further establish a connection between superstatistics and Tsallis non-additive thermodynamics by introducing a temperature-renormalizing parameter. Our results show that, for an Ohmic model, the system's correlation functions exhibit diverse time-dependent behaviors, with the real and imaginary parts displaying enhancement or suppression depending on temperature and fluctuation strength. Additionally, we analyze the impact of these fluctuations on the quantum master equation of a damped two-level atom coupled to an out-of-equilibrium radiation bath. We demonstrate that while the equation's algebraic structure remains intact, the coupling constants are modified by the fluctuation parameters and cavity volume. Specifically, we observe that the AC Stark effect undergoes significant modifications, with fluctuations influencing the transition between repulsive and attractive energy levels.


[72] 2411.13128

Third-order Orbital Corner State and its Realization in Acoustic Crystals

Three dimensional (3D) third-order topological insulators (TIs) have zero-dimensional (0D) corner states, which are three dimensions lower than bulk. Here we investigate the third-order TIs on breathing pyrochlore lattices with p-orbital freedom. The tight-binding Hamiltonian is derived for the p-orbital model, in which we find that the two orthogonal ${\pi}$-type (transverse) hoppings are the key to open a band gap and obtain higher-order topological corner states. We introduce the Z4 berry phase to characterize the bulk topology and analysis the phase diagram. The corner states, demonstrated in a finite structure of a regular tetrahedron, exhibit rich 3D orbital configurations. Furthermore, we design an acoustic system to introduce the necessary ${\pi}$-type hopping and successfully observe the orbital corner states. Our work extends topological orbital corner states to third-order, which enriches the contents of orbital physics and may lead to applications in novel topological acoustic devices.


[73] 2411.13161

A universal framework for the quantum simulation of Yang-Mills theory

We provide a universal framework for the quantum simulation of SU(N) Yang-Mills theories on fault-tolerant digital quantum computers adopting the orbifold lattice formulation. As warm-up examples, we also consider simple models, including scalar field theory and the Yang-Mills matrix model, to illustrate the universality of our formulation, which shows up in the fact that the truncated Hamiltonian can be expressed in the same simple form for any N, any dimension, and any lattice size, in stark contrast to the popular approach based on the Kogut-Susskind formulation. In all these cases, the truncated Hamiltonian can be programmed on a quantum computer using only standard tools well-established in the field of quantum computation. As a concrete application of this universal framework, we consider Hamiltonian time evolution by Suzuki-Trotter decomposition. This turns out to be a straightforward task due to the simplicity of the truncated Hamiltonian. We also provide a simple circuit structure that contains only CNOT and one-qubit gates, independent of the details of the theory investigated.


[74] 2411.13167

Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation

The Bethe-Salpeter equation has been extensively employed to compute the two-body electron-hole propagator and its poles which correspond to the neutral excitation energies of the system. Through a different time-ordering, the two-body Green's function can also describe the propagation of two electrons or two holes. The corresponding poles are the double ionization potentials and double electron affinities of the system. In this work, a Bethe-Salpeter equation for the two-body particle-particle propagator is derived within the linear-response formalism using a pairing field and anomalous propagators. This framework allows us to compute kernels corresponding to different self-energy approximations ($GW$, $T$-matrix, and second-Born) as in the usual electron-hole case. The performance of these various kernels is gauged for singlet and triplet valence double ionization potentials using a set of 23 small molecules. The description of double core hole states is also analyzed.


[75] 2411.13190

Ab-initio approach to Many-Body Quantum Spin Dynamics

A fundamental longstanding problem in studying spin models is the efficient and accurate numerical simulation of the long-time behavior of larger systems. The exponential growth of the Hilbert space and the entanglement accumulation at long times pose major challenges for current methods. To address these issues, we employ the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) framework to simulate the many-body spin dynamics of the Heisenberg model in various settings, including the Ising and XYZ limits with different interaction ranges and random couplings. Benchmarks with analytical and exact numerical approaches show that ML-MCTDH accurately captures the time evolution of one- and two-body observables in both one- and two-dimensional lattices. A comparison of ML-MCTDH with the discrete truncated Wigner approximation (DTWA) demonstrates that our approach excels in handling anisotropic models and consistently provides better results for two-point observables in all simulation instances. Our results indicate that the multilayer structure of ML-MCTDH is a promising numerical framework for handling the dynamics of generic many-body spin systems.


[76] 2411.13221

Observation of non-Hermitian boundary induced hybrid skin-topological effect excited by synthetic complex frequencies

The hybrid skin-topological effect (HSTE) has recently been proposed as a mechanism where topological edge states collapse into corner states under the influence of the non-Hermitian skin effect (NHSE). However, directly observing this effect is challenging due to the complex frequencies of eigenmodes. In this study, we experimentally observe HSTE corner states using synthetic complex frequency excitations in a transmission line network. We demonstrate that HSTE induces asymmetric transmission along a specific direction within the topological band gap. Besides HSTE, we identify corner states originating from non-chiral edge states, which are caused by the unbalanced effective onsite energy shifts at the boundaries of the network. Furthermore, our results suggest that whether the bulk interior is Hermitian or non-Hermitian is not a key factor for HSTE. Instead, the HSTE states can be realized and relocated simply by adjusting the non-Hermitian distribution at the boundaries. Our research has deepened the understanding of a range of issues regarding HSTE, paving the way for advancements in the design of non-Hermitian topological devices.


[77] 2411.13304

ZnO-based Semiconductors and Structures for Transistors, Optoelectronic Devices and Sustainable Electronics

Metal oxide thin films are of great interest in scientific advancement, particularly semiconductor thin films in transistors and in a wide range of optoelectronic applications. Many metal oxide thin films attract interest for their electronic bandgap, charge carrier mobility, optical opacity, luminescence, low cost, relative abundance and environmentally-friendly production. Additionally, these properties are often tuneable via particle size, film density, surface morphology, film deposition, growth method, hetero-interface engineering or ion-doping. Zinc oxide as a n-type semiconducting metal oxide is material of great interest owing to its intrinsically wide direct bandgap, high electron mobility, relatively high exciton binding energy, high optical transparency, demonstrated metal-ion doping optoelectronic effects, a range of different particle morphologies and deposition methods, photoluminescence ability, low cost and a variety of existing green synthesis methods. Here, these aspects of zinc oxide and some related oxides are reviewed, focusing on how the unique properties of this metal oxide make it suitable for a range of different applications from thin film transistors, high mobility oxide interfaces, transparent conductive oxides, photoanodes photodetectors, chemical sensors, photocatalysts, superlattice electronics and more. The properties and deposition methods and their impact on functionality will be discussed alongside their role in sustainable optoelectronics for future devices.


[78] 2411.13309

Anisotropic manipulation of terahertz spin-waves by spin-orbit torque in a canted antiferromagnet

We theoretically and numerically elucidate the electrical control over spin waves in antiferromagnetic materials (AFM) with biaxial anisotropies and Dzyaloshinskii-Moriya interactions. The spin wave dispersion in an AFM manifests as a bifurcated spectrum with distinct high-frequency and low-frequency bands. Utilizing a heterostructure comprised of platinum and the AFM, we demonstrate anisotropic control of spin-wave bands via spin currents with three-dimensional spin polarizations, encompassing both resonant and propagating wave modes. Moreover, leveraging the confined geometry, we explore the possibility of controlling spin waves within a spectral domain ranging from tens of gigahertz to sub-terahertz frequencies. The implications of our findings suggest the potential for developing a terahertz wave source with electrical tunability, thereby facilitating its incorporation into ultrafast, broadband, and wireless communication technologies.


[79] 2411.13337

Non-Abelian entanglement asymmetry in random states

The entanglement asymmetry measures the extent to which a symmetry is broken within a subsystem of an extended quantum system. Here, we analyse this quantity in Haar random states for arbitrary compact, semi-simple Lie groups, building on and generalising recent results obtained for the $U(1)$ symmetric case. We find that, for any symmetry group, the average entanglement asymmetry vanishes in the thermodynamic limit when the subsystem is smaller than its complement. When the subsystem and its complement are of equal size, the entanglement asymmetry jumps to a finite value, indicating a sudden transition of the subsystem from a fully symmetric state to one devoid of any symmetry. For larger subsystem sizes, the entanglement asymmetry displays a logarithmic scaling with a coefficient fixed by the dimension of the group. We also investigate the fluctuations of the entanglement asymmetry, which tend to zero in the thermodynamic limit. We check our findings against exact numerical calculations for the $SU(2)$ and $SU(3)$ groups. We further discuss their implications for the thermalisation of isolated quantum systems and black hole evaporation.


[80] 2411.13469

Information scrambling and entanglement dynamics in Floquet Time Crystals

We study the dynamics of out-of-time-ordered correlators (OTOCs) and entanglement of entropy as quantitative measures of information propagation in disordered many-body systems exhibiting Floquet time-crystal (FTC) phases. We find that OTOC spreads in the FTC with different characteristic timescales due to the existence of a preferred ``quasi-protected'' direction - denoted as $\ell$-bit direction - along which the spins stabilize their period-doubling magnetization for exponentially long times. While orthogonal to this direction the OTOC thermalizes as an usual MBL time-independent system (at stroboscopic times), along the $\ell$-bit direction the system features a more complex structure. The scrambling appears as a combination of an initially frozen dynamics (while in the stable period doubling magnetization time window) and a later logarithmic slow growth (over its decoherence regime) till full thermalization. Interestingly, in the late time regime, since the wavefront propagation of correlations has already settled through the whole chain, scrambling occurs at the same rate regardless of the distance between the spins, thus resulting in an overall envelope-like structure of all OTOCs, independent of their distance, merging into a single growth. Alongside, the entanglement entropy shows a logarithmic growth over all time, reflecting the slow dynamics up to a thermal volume-law saturation.