This study focuses on the investigations and comparative study of the electronic structure of Co$_2$VZ (Z=Al, Be) Heusler alloys under varying high pressure conditions. The pressure range explored spans from 0.0 GPa to 30.0GPa, with increments of 0.5GPa. The WIEN2K simulation program is used to investigate the effect of pressure on the structural, magnetic, and electronic properties of Co$_2$VZ Heusler alloys. The WIEN2K simulation code with WC-GGA and mBJ exchange correlation potentials are used to investigate various features. The results of the WC-GGA exchange correlation potentials are then compared to earlier experimental and theoretical findings employed different exchange correlation potentials. The stability observed in the P-V plot indicates the absence of any structural phase transition from a cubic symmetry structure to another structural phase. The varying slopes observed in the band gap response to increasing pressure in different pressure ranges for studied alloys can be attributed to the predominance of either permittivity or quantum confinement effects.

In the reported study we have investigated the robust phase stability, elasto-mechanical, thermophysical and magnetic properties of KVSb half Heusler compound by implementing density functional theory models in Wien2k simulation package. The dynamic phase stability is computed in phase type I, II & III phase configurations by optimising their energy. It is observed that given compound is more stable in spin-polarised state of phase type I. To explore the electronic band structure, we apply the generalised gradient approximation. The electronic band profile of the Heusler alloy display a half-metallic nature. Moreover, the calculated second-order elastic parameters divulge the ductile nature. To understand the thermodynamical and thermoelectric stability of the alloy at various temperature and pressures ranges we have utilised the Quasi-Harmonic Debye model. The computed value of magnetic moment found in good agreement with Slater-Pauling rule. Our findings confirms that the predicted half Heusler alloy can be used in various spintronics and thermoelectric applications.

We study an interacting composite $(1+1/n)$ Abelian helical edge state made of a regular helical liquid carrying charge $e$ and a (fractionalized) helical liquid carrying charge $e/n$. A systematic framework is developed for these composite $(1+1/n)$ Abelian helical edge states with $n=1,2,3$. For $n=2$, the composite edge state consists of a regular helical Luttinger liquid and a fractional topological insulator (the Abelian $Z_4$ topological order) edge state arising from half-filled conjugated Chern bands. The composite edge state with $n=2$ is pertinent to the recent twisted MoTe$_2$ experiment, suggesting a possible fractional topological insulator with conductance $\frac{3}{2}\frac{e^2}{h}$ per edge. Using bosonization, we construct generic phase diagrams in the presence of $weak$ Rashba spin-orbit coupling. In addition to a phase of free bosons, we find a time-reversal symmetry-breaking localized insulator, two perfect positive drag phases, a perfect negative drag phase (for $n=2,3$), a time-reversal symmetric Anderson localization (only for $n=1$), and a disorder-dominated metallic phase analogous to the $\nu=2/3$ disordered fractional quantum Hall edges (only for $n=3$). We further compute the two-terminal edge-state conductance, the primary experimental characterization for the (fractional) topological insulator. Remarkably, the negative drag phase gives rise to an unusual edge-state conductance, $(1-1/n)\frac{e^2}{h}$, not directly associated with the filling factor. We further investigate the effect of an applied in-plane magnetic field. For $n>1$, the applied magnetic field can result in a phase with edge-state conductance $\frac{1}{n}\frac{e^2}{h}$, providing another testable signature. Our work establishes a systematic understanding of the composite $(1+1/n)$ Abelian helical edge, paving the way for future experimental and theoretical studies.

Moir\'e materials can exhibit electronic topological features yet are inherently quasiperiodic. Nonetheless, the localizing tendency of quasiperiodicity can be prevented by topology. We consider a quasiperiodic variant of the chiral Bistritzer-MacDonald model for twisted bilayer graphene with two incommensurate moir\'e potentials. We observe "filaments" linking magic angles with enhanced density of states and fractal wave functions that evade localization; states away from the filaments mimic fractal surface states of dirty topological superconductors. We demonstrate that topological quasiperiodicity can broadly enhance superconductivity without magic-angle fine-tuning.

We study the topological bands in twisted bilayer transition metal dichalcogenides in an external magnetic field. We first focus on a paradigmatic model of WSe$_2$, which can be described in an adiabatic approximation as particles moving in a periodic potential and an emergent periodic magnetic field with nonzero average. We understand the magnetic-field dependent spectra of WSe$_2$ based on the point net zero flux, at which the external field cancels the average emergent field. At this point, the band structure interpolates between the tightly-bound and nearly-free (weak periodic potential) paradigms as the twist angle increases. For small twist angles, the energy levels in a magnetic field mirror the Hofstadter butterfly of the Haldane model. For larger twist angles, the isolated Chern band at zero flux evolves from nearly-free bands at the point of net zero flux. We also apply our framework to a realistic model of twisted bilayer MoTe$_2$, which has recently been suggested to feature higher Landau level analogs. We show that at negative unit flux per unit cell, the bands exhibit remarkable similarity to a backfolded parabolic dispersion, even though the adiabatic approximation is inapplicable. This backfolded parabolic dispersion naturally explains the similarity of the Chern bands at zero applied flux to the two lowest Landau levels, offering a simple picture supporting the emergence of non-Abelian states in twisted bilayer MoTe$_2$. We propose the study of magnetic field dependent band structures as a versatile method to investigate the nature of topological bands and identify Landau level analogs.

The non-Hermitian skin effect, characterized by a proliferation of exponentially-localized edge modes, has led to numerous novel physical phenomena that challenge the limits of conventional band theory. In sharp contrast to the traditional exponential localization, this manuscript reports a new kind of non-Hermitian skin effect, which we term the ``algebraic non-Hermitian skin effect." This effect emerges across a diverse spectrum of non-Hermitian systems in both two- and higher space dimensions. For 2D systems with algebraic non-Hermitian skin effect, on geometries such as a torus or cylinder, these systems exhibit behavior reminiscent of the conventional non-Hermitian skin effect, where eigenmodes are either bulk Bloch waves (on a torus) or exponentially localized edge modes (on a cylinder). However, if the same system is placed on a disk or any geometrical shape featuring open boundaries in all directions, the skin modes immediately transform into the algebraic form, with amplitude decaying as a power-law function of the distance from the boundary. To explore these novel effects, we formulate a unified generalized Brillouin zone (GBZ) framework that is universally applicable to all variations of non-Hermitian skin effects across any spatial dimension, developed through the usage of a generalized transfer-matrix approach. We find that in a $d$-dimensional non-Hermitian system, in general, the GBZ manifold's dimensionality must fall into the range from $d$ to $2d-1$, denoted by ${d \leq \dim\text{GBZ} \leq 2d-1}$. In 1D, this inequality is trivial because the upper and lower bounds converge, forcing the GBZ's dimensionality to match with that of the physical space. However, in 2D and above, this inequality indicates that there is no obligation for the GBZ's dimensionality to concur with the physical space's dimensionality, which gives rise to a new class of non-Hermitian skin effects.

We discuss a large class of classical field theories with continuous translation symmetry. In the quantum theory, a new anomaly explicitly breaks this translation symmetry to a discrete symmetry. Furthermore, this discrete translation symmetry is extended by a d-2-form global symmetry. All these theories can be described as U(1) gauge theories where Gauss law states that the system has nonzero charge density. Special cases of such systems can be phrased as theories with a compact phase space. Examples are ferromagnets and lattices in the lowest Landau level. In some cases, the broken continuous translation symmetry can be resurrected as a noninvertible symmetry. We clarify the relation between the discrete translation symmetry of the continuum theory and the discrete translation symmetry of an underlying lattice model. Our treatment unifies, clarifies, and extends earlier works on the same subject.

We present a Hamiltonian Monte Carlo study of doped perylene $\mathrm{C}_{20}\mathrm{H}_{12}$ described with the Hubbard model. Doped perylene can be used for organic light-emitting diodes (OLEDs) or as acceptor material in organic solar cells. Therefore, central to this study is a scan over charge chemical potential. A variational basis of operators allows for the extraction of the single-particle spectrum through a mostly automatic fitting procedure. Finite chemical potential simulations suffer from a sign problem which we ameliorate through contour deformation. The on-site interaction is kept at $U/\kappa = 2$. Discretization effects are handled through a continuum limit extrapolation. Our first-principles calculation shows significant deviation from non-interacting results especially at large chemical potentials.

Hydrogen is a promising alternative to fossil fuel, however storing it efficiently poses challenges. One promising solution is to adsorb hydrogen on solid materials demonstrating quasi-molecular bonding with hydrogen. The hydrogen adsorption energy can be tuned by changing the morphology or stoichiometry of bimetallic nanoparticles. Here we used complementary techniques to unveil the chemical compositional and morphological transformation undergone by PdxNi100-x nanoparticles during H2 adsorption. Our findings reveal NiO-rich shell and Pd-rich core as confirmed by X-ray photoelectron spectroscopy, X-ray scattering, and electron energy loss spectroscopy. During hydrogen adsorption, which mainly occurs on Pd atoms, the Pd-rich core fragments into small pockets, increasing its surface area. This process is more pronounced for nanoparticles with lower Pd loading, emphasizing the role of NiO. These results shed light on the atomic changes occurring in the PdxNi100-x nanoparticles during hydrogen adsorption and can be applicable on multi-metallic systems to improve hydrogen storage properties.

Stochastic Analytic Continuation (SAC) of Quantum Monte Carlo (QMC) imaginary-time correlation function data is a valuable tool in connecting many-body models to experiments. Recent developments of the SAC method have allowed for spectral functions with sharp features, e.g. narrow peaks and divergent edges, to be resolved with unprecedented fidelity. Often times, it is not known what exact sharp features are present a priori, and, due to the ill-posed nature of the analytic continuation problem, multiple spectral representations may be acceptable. In this work, we borrow from the machine learning and statistics literature and implement a cross validation technique to provide an unbiased method to identify the most likely spectrum. We show examples using imaginary-time data generated by QMC simulations and synthetic data generated from artificial spectra. Our procedure, which can be considered a form of "model selection," can be applied to a variety of numerical analytic continuation methods, beyond just SAC.

We introduce the concept of quantum weight as a fundamental property of quantum many-body systems that is encoded in the ground-state static structure factor and characterizes density fluctuation at long wavelength. We show that quantum weight of three-dimensional electron systems is related by a sum rule to the inverse dielectric function, which describes electron energy loss spectrum. Using this relation, we derive an upper and a lower bound on the quantum weight of real materials in terms of their electron density, static dielectric constant, and plasmon energy. For systems with short-range interactions or Coulomb systems in reduced dimensions, we derive a sum rule relating the quantum weight to the optical conductivity and establish a remarkable connection with the quantum geometry of many-body ground states. Our work highlights quantum weight as a key material parameter that can be experimentally determined.

The effect of self-irradiation damage can influence many properties of a radioactive material. Actinide materials involving the decay through alpha radiation have been frequently studied using techniques such as transport, thermodynamics, and x-ray diffraction. The use of nuclear magnetic resonance (NMR) spectroscopy to study such effects, however, has seen relatively little attention. Here, we use $^{239}$Pu NMR to study the local influence of self-damage in a single crystal of the candidate topological insulator plutonium tetraboride (PuB$_{4}$). We first characterize the anisotropy of the $^{239}$Pu resonance in a single crystal and confirm the local axial site symmetry inferred from previous polycrystalline measurements. Aging effects are then evaluated over the timeframe of six years. We find that, though the static NMR spectra may show a slight modulation in their shape, their field-rotation pattern reveals no change in Pu local site symmetry over time, suggesting that aging has a surprisingly small impact on the spatial distribution of the static hyperfine field. By contrast, aging has a prominent impact on the NMR relaxation processes and signal intensity. Specifically, aging-induced damage manifests itself as an increase in the spin-lattice relaxation time $T_{1}$, an increased distribution of $T_{1}$, and a signal intensity that decreases linearly by 20 % per year. The spin-spin relaxation time $T_{2}$ in the aged sample shows a strong variation across the spectrum as well as a drastic shortening towards lower temperature, suggesting growth of slow fluctuations of the hyperfine field that are linked to radiation-damage-induced inhomogeneity and could be responsible for the signal wipeout that develops over time.

Indoor photovoltaics (IPVs) have attracted increasing attention for sustainably powering Internet of Things (IoT) electronics. Sb$_2$S$_3$ is a promising IPV candidate material with a bandgap of ~1.75 eV, which is near the optimal value for indoor energy harvesting. However, the performance of Sb$_2$S$_3$ solar cells is limited by nonradiative recombination, closely associated with the poor-quality absorber films. Additive engineering is an effective strategy to improved the properties of solution-processed films. This work shows that the addition of monoethanolamine (MEA) into the precursor solution allows the nucleation and growth of Sb$_2$S$_3$ films to be controlled, enabling the deposition of high-quality Sb$_2$S$_3$ absorbers with reduced grain boundary density, optimized band positions and increased carrier concentration. Complemented with computations, it is revealed that the incorporation of MEA leads to a more efficient and energetically favorable deposition for enhanced heterogeneous nucleation on the substrate, which increases the grain size and accelerates the deposition rate of Sb$_2$S$_3$ films. Due to suppressed carrier recombination and improved charge-carrier transport in Sb$_2$S$_3$ absorber films, the MEA-modulated Sb$_2$S$_3$ solar cell yields a power conversion efficiency (PCE) of 7.22% under AM1.5G illumination, and an IPV PCE of 17.55% under 1000 lux white light emitting diode (WLED) illumination, which is the highest yet reported for Sb$_2$S$_3$ IPVs. Furthermore, we construct high performance large-area Sb$_2$S$_3$ IPV modules to power IoT wireless sensors, and realize the long-term continuous recording of environmental parameters under WLED illumination in an office. This work highlights the great prospect of Sb$_2$S$_3$ photovoltaics for indoor energy harvesting.

We investigate spatially resolved variations in the bandgap energy across multiple InxGa1-xAs quantum wells (QWs) on a GaAs substrate within a metamorphic laser structure. Using high resolution scanning transmission electron microscopy and low-loss electron energy loss spectroscopy, we present a detailed analysis of the local bandgap energy, indium concentration, and strain distribution within the QWs. Our findings reveal significant inhomogeneities, particularly near the interfaces, in both the strain and indium content, and a bandgap variability across QWs. These results are correlated with density functional theory simulations to further elucidate the interplay between strain, composition, and bandgap energy. This work underscores the importance of spatially resolved analysis in understanding, and optimising, the electronic and optical properties of semiconductor devices. The study suggests that the collective impact of individual QWs might affect the emission and performance of the final device, providing insights for the design of next-generation metamorphic lasers with multiple QWs as the active region.

Photoexcitation by ultrashort laser pulses plays a crucial role in controlling reaction pathways, creating nonequilibrium material properties, and offering a microscopic view of complex dynamics at the molecular level. The photo response following a laser pulse is, in general, non-identical between multiple exposures due to spatiotemporal fluctuations in a material or the stochastic nature of dynamical pathways. However, most ultrafast experiments using a stroboscopic pump-probe scheme struggle to distinguish intrinsic sample fluctuations from extrinsic apparatus noise, often missing seemingly random deviations from the averaged shot-to-shot response. Leveraging the stability and high photon-flux of time-resolved X-ray micro-diffraction at a synchrotron, we developed a method to quantitatively characterize the shot-to-shot variation of the photoinduced dynamics in a solid-state electrolyte. By analyzing temporal evolutions of the lattice parameter of a single grain in a powder ensemble, we found that the sample responses after different shots contain random fluctuations that are, however, not independent. Instead, there is a correlation between the nonequilibrium lattice trajectories following adjacent laser shots with a characteristic "correlation length" of approximately 1,500 shots, which represents an energy barrier of 0.38~eV for switching the photoinduced pathway, a value interestingly commensurate with the activation energy of lithium ion diffusion. Not only does our nonequilibrium noise correlation spectroscopy provide a new strategy for studying fluctuations that are central to phase transitions in both condensed matter and molecular systems, it also paves the way for discovering hidden correlations and novel metastable states buried in oft-presumed random, uncorrelated fluctuating dynamics.

Quantum valley Hall (QVH) domain wall states are a new class of one-dimensional (1D) one-way conductors that are topologically protected in the absence of valley mixing. Development beyond a single QVH channel raises important new questions as to how QVH channels in close spatial proximity interact with each other, and how that interaction may be controlled. Scalable epitaxial bilayer graphene synthesis produces layer stacking wall (LSW) bundles, where QVH channels are bound, providing an excellent platform to study QVH channel interactions. Here we show that distinct strain sources lead to the formation of both well-separated LSWs and close packed LSW bundles. Comparative studies of electronic transport in these two regimes reveal that close-packed LSW bundles support electrically tunable magnetoconductance. The coexistence of different strain sources offers a potential pathway to realize scalable quantum transport platform based on LSWs where electrically tunability enables programmable functionality.

Gap opening remains elusive in copper chalcogenides (Cu$_{2}X$, $X$ = S, Se and Te), not least because Hubbard + $U$, hybrid functional and ${GW}$ methods have also failed. In this work, we elucidate that their failure originates from a severe underestimation of the 4$s$-3$d$ orbital splitting of the Cu atom, which leads to a band-order inversion in the presence of an anionic crystal field. As a result, the Fermi energy is pinned due to symmetry, yielding an invariant zero gap. Utilizing the hybrid pseudopotentials to correct the underestimation on the atomic side opens up gaps of experimental magnitude in Cu$_{2}X$, suggesting their predominantly electronic nature. Our work not only clarifies the debate about the Cu$_{2}X$ gap, but also provides a way to identify which of the different methods really captures the physical essence and which is the result of error cancellation.

Crystals with unique ionic arrangements and strong electronic correlations serve as a fertile ground for the emergence of exotic phases, as evidenced by the coexistence of charge density wave (CDW) and superconductivity in vanadium Kagome metals, specifically AV3Sb5 (where A represents K, Rb, or Cs). The formation of a star of David CDW superstructure, resulting from the coordinated displacements of vanadium ions on a corner sharing triangular lattice, has garnered significant attention in efforts to comprehend the influence of electron phonon interaction within this geometrically intricate lattice. However, understanding of the underlying mechanism behind CDW formation, coupled with symmetry protected lattice vibrations, remains elusive. In this study, we employed time resolved X ray scattering experiments utilising an X ray free electron laser. Our findings reveal that the phonon mode associated with the out of plane motion of Cs ions becomes frustrated in the CDW phase. Furthermore, we observed the photoinduced emergence of a metastable CDW phase, facilitated by the alleviation of frustration through nonadiabatic changes in free energy. By elucidating the longstanding puzzle surrounding the intervention of phonons in CDW ordering, this research offers fresh insights into the competition between phonons and periodic lattice distortions, a phenomenon widespread in other correlated quantum materials including layered high Tc superconductors.

We theoretically demonstrate the feasibility of creating Bell states in multi-component ultra-cold atomic gases by solely using the ability to control the inter-particle interactions via Feshbach resonances. For this we consider two distinguishable impurities immersed in an atomic background cloud of a few bosons, with the entire system being confined in a one-dimensional harmonic trap. By analyzing the numerically obtained ground states we demonstrate that the two impurities can form spatially entangled bipolaron states due to mediated interactions from the bosonic bath. Our analysis is based on calculating the correlations between the two impurities in a two-mode basis, which is experimentally accessible by measuring the particles positions in the left or right sides of the trap. While interspecies interactions are crucial in order to create the strongly entangled impurity states, it can also inhibit correlations depending on the ordering of the impurities and three-body impurity-bath correlations. We show how these drawbacks can be mitigated by manipulating the properties of the bath, namely its size, mass and intraspecies interactions, allowing to create impurity Bell states over a wide range of impurity-impurity interactions.

We investigate the exact solvability and point-gap topological phase transitions in non-Hermitian lattice models. These models incorporate site-dependent nonreciprocal hoppings $J e^{\pm g_n}$, facilitated by a spatially fluctuating imaginary gauge field $ig_n \hat~x$ that disrupts translational symmetry. By employing suitable imaginary gauge transformations, it is revealed that a lattice characterized by any given $g_n$ is spectrally equivalent to a lattice devoid of fields, under open boundary conditions. Furthermore, a system with closed boundaries can be simplified to a spectrally equivalent lattice featuring a uniform mean field $i\bar{g}\hat~x$. This framework offers a comprehensive method for analytically predicting spectral topological invariance and associated boundary localization phenomena for bond-disordered nonperiodic lattices. These predictions are made by analyzing gauge-transformed isospectral periodic lattices. Notably, for a lattice with quasiperiodic $g_n= \ln |\lambda \cos 2\pi \alpha n|$ and an irrational $\alpha$, a previously unknown topological phase transition is unveiled. It is observed that the topological spectral index $W$ assumes values of $-N$ or $+N$, leading to all $N$ open-boundary eigenstates localizing either at the right or left edge, solely dependent on the strength of the gauge field, where $\lambda<2$ or $\lambda>2$. A phase transition is identified at the critical point $\lambda\approx2$, at which all eigenstates undergo delocalization. The theory has been shown to be relevant for long-range hopping models and for higher dimensions.

Stochastic and dynamical processes lie at the heart of all physical, chemical, and biological systems. However, kinetic and thermodynamic properties which characterize these processes have largely been treated separately as they can be obtained independently for many systems at thermodynamic equilibrium. In this work we demonstrate the existence of a class of relations between kinetic and thermodynamic factors which holds even in the hydrodynamic limit, and which must be satisfied for all systems that satisfy detailed balance and Boltzmann distribution at equilibrium. We achieve this by proving that for systems with inhomogeneous equilibrium states governed by dynamics such as the Cahn-Hilliard (CH) dynamics, the chemical potential and self-diffusivity must mutually constrain each other. We discuss common issues in the literature which result in inconsistent formulations, construct the consistency requirement mathematically, develop a class of self-diffusivities that guarantee consistency, and discuss how the requirement originates from detailed balance and Boltzmann distribution, and is therefore applicable to both conserved and non-conserved dynamics.

Melting of a solid is one of the most ubiquitous phenomena observed in nature. Most solids, when heated, melt from a crystalline state to an isotropic liquid at a characteristic temperature. There are however situations where increase in temperature can induce a transition to a more ordered state. Broadly termed as "inverse melting", experimental realisations of such situations are rare. Here, we report such a phenomenon in the 2-dimensional vortex liquid that forms in a moderately pinned amorphous Re6Zr (a-ReZr) thin film, from direct imaging of the vortex lattice using a scanning tunnelling microscope. At low temperature and magnetic fields, we find that the vortices form a "pinned liquid" , that is characterised by a low mobility of the vortices and vortex density that is spatially inhomogeneous. As the temperature or magnetic field is increased the vortices become more ordered, eventually forming a nearly perfectly ordered vortex lattice. Above this temperature/magnetic field, the ordered vortex lattice melts again into a vortex liquid. This re-entrant transformation from a liquid to solid-like state and then back to a liquid also leaves distinct signature in the magnetotransport properties of the superconductor.

Quasicrystals represent a category of rarely structured solids that challenge traditional periodicity in crystal materials. Recent advancements in the synthesis of two-dimensional (2D) van der Waals materials have paved the way for exploring the unique physical properties of these systems. Here, we report on the synthesis of 2D quasicrystals featuring 30{\deg} alternating twist angles between multiple graphene layers, using chemical vapor deposition (CVD). Strikingly, we observed periodic Moir\'e patterns in the quasicrystal, a finding that has not been previously reported in traditional alloy-based quasicrystals. The Moir\'e periodicity, varying with the parity of the constituent layers, aligns with the theoretical predictions that suggest a stress cancellation mechanism in force. The emergence of Moir\'e fringes is attributed to the spontaneous mismatched lattice constant in the oriented graphene layers, proving the existence of atomic relaxation. This phenomenon, which has been largely understudied in graphene systems with large twist angles, has now been validated through our use of scanning transmission electron microscopy (STEM). Our CVD-grown Moir\'e quasicrystal provides an ideal platform for exploring the unusual physical properties that arise from Moir\'e periodicity within quasicrystals.

The recent experimental detection of the onset of a dynamically prepared, gapped $Z_2$ quantum spin liquid on the ruby lattice brought the physics of frustrated magnetism and lattice gauge theory to Rydberg tweezer arrays (Semeghini et al, Science 374, 1242 (2021)). The thermodynamic properties of such models remain inadequately addressed, yet knowledge thereof is indispensable if one wants to prepare large, robust, and long-lived quantum spin liquids. Using large scale quantum Monte Carlo simulations we find in the PXP model a renormalized classical spin liquid with constant entropy density $S/N$ approaching $\ln(2)/6$ in the thermodynamic limit for all moderate and large values of the detuning $\delta$ and starting from $T/\Omega \sim 0.5$ (in units of the Rabi frequency $\Omega$) down to the lowest temperatures we could simulate, $T/\Omega \sim 0.01$. With Van der Waals interactions, constant entropy plateaus are still found but its value shifts with $\delta$. We comment the adiabatic approximation to the dynamical ramps for the electric degrees of freedom.

Barrier crossing is a widespread phenomenon across natural and engineering systems. While an abundant cross-disciplinary literature on the topic has emerged over the years, the stochastic underpinnings of the process are yet to be fully understood. We fill this knowledge gap by considering a diffusing particle and presenting a stochastic definition of Brownian motion in the presence of a permeable barrier. This definition relies on reflected Brownian motion and on the crossing events being Poisson processes subordinated by the local time of the underlying motion at the barrier. Within this paradigm we derive the exact expression for the distribution of the number of crossings, and find an experimentally measurable statistical definition of permeability. We employ Feynman-Kac theory to derive and solve a set of governing birth-death diffusion equations and extend them to when barrier permeability is asymmetric. As an application we study a system of infinite, identical and periodically placed asymmetric barriers for which we derive analytically effective transport parameters. This periodic arrangement induces an effective drift at long times whose magnitude depends on the difference in the permeability on either side of the barrier as well as on their absolute values. As the asymmetric permeabilities act akin to localised ``ratchet'' potentials that break spatial symmetry and detailed balance, the proposed arrangement of asymmetric barriers provides an example of a noise-induced drift without the need to time-modulate any external force or create temporal correlations on the motion of a diffusing particle.

A novel high-energy electron cyclotron resonance (ECR) ion beam deposition (IBD) technique was used to fabricate DLC films at different ion beam energies. The ratios of sp2/sp3 bonding in the DLC coatings were determined by Raman spectroscopy and XPS, with the confirmation of being hydrogen-free due to the lack of photoluminescence (PL) background in the Raman spectra. The results indicate that the sp3 percentage ranges from 45% - 85% for the ECR-IBD fabricated DLC films in this study. Monte-Carlo based SRIM simulation was used to extract the energy and angular distribution of the sputtered particles from the carbon target and correlate it to the highest sp3 fraction in the manufactured ECR-IBD DLCs. This study demonstrates a method of depositing DLC thin films under ambient conditions (room temperature with no post-annealing or additional bias voltage applied) which produces high-sp3 coatings (higher than those traditionally reported for other sputtering methods) suitable for applications where high quality DLC coatings are required.

Integrable spin chains with a continuous non-Abelian symmetry, such as the one-dimensional isotropic Heisenberg model, show superdiffusive transport with little theoretical understanding. Although recent studies reported a surprising connection to the Kardar-Parisi-Zhang (KPZ) universality class in that case, this view was most recently questioned by discrepancies in full counting statistics. Here, by combining extensive numerical simulations of the Landau-Lifshitz one-dimensional magnet, with a framework developed by exact studies of the KPZ class, we characterize various two-point quantities that remain hitherto unexplored in spin chains, and find full agreement with KPZ scaling laws. This establishes the partial emergence of the KPZ class in isotropic spin chains. Moreover, we reveal that the KPZ scaling laws are intact in the presence of an energy current, under the appropriate Galilean boost required by the propagation of spacetime correlation.

Combining the excellent thermal and electrical properties of Cu with the high abrasion resistance and thermal stability of W, Cu-W nanoparticle-reinforced metal matrix composites and nano-multilayers (NMLs) are finding applications as brazing fillers and shielding material for plasma and radiation. Due to the large lattice mismatch between fcc Cu and bcc W, these systems have complex interfaces that are beyond the scales suitable for ab initio methods, thus motivating the development of chemically accurate interatomic potentials. Here, a neural network potential (NNP) for Cu-W is developed within the Behler-Parrinello framework using a curated training dataset that captures metallurgically-relevant local atomic environments. The Cu-W NNP accurately predicts (i) the metallurgical properties (elasticity, stacking faults, dislocations, thermodynamic behavior) in elemental Cu and W, (ii) energies and structures of Cu-W intermetallics and solid solutions, and (iii) a range of fcc Cu/bcc W interfaces, and exhibits physically-reasonable behavior for solid W/liquid Cu systems. As will be demonstrated in forthcoming work, this near-ab initio-accurate NNP can be applied to understand complex phenomena involving interface-driven processes and properties in Cu-W composites.

We report on a remarkable spectral phenomenon in a generic type of quantum lattice gas model. As the interaction strength increases, eigenstates spontaneously reorganize and lead to plateaus of the interaction energy, with gaps opening akin to continuous phase transitions. Perturbation theory identifies a hidden structure underlying eigenstates within each plateau, resulting in a statistical shift in the wavefunction amplitudes described by extreme value theory. The structured eigenstates manifest themselves naturally in far-from-equilibrium dynamics proceeding through multiple universal stages. Our findings reveal a profound connection between emergent properties in high-energy states and out-of-equilibrium dynamics, providing insights into the impact of interactions across the entire energy spectrum. The results are directly relevant to experiments probing equilibration in quantum spin and lattice gases.

In this article, we present the collective dynamics of active dumbbells in the presence of a static circular obstacle using Brownian dynamics simulation. The active dumbbells aggregate on the surface of a circular obstacle beyond a critical radius. The aggregation is non-uniform along the circumference, and the aggregate size increases with the activity and the curvature radius. The dense aggregate of active dumbbells displays persistent rotational motion with a certain angular speed, which linearly increases with the activity. Further, we show the strong polar ordering of the active dumbbells within the aggregate. The polar ordering exhibits a long-range correlation, with the correlation length corresponding to the aggregate size. Additionally, we show that the residence time of an active dumbbell on the obstacle surface grows rapidly with area fraction due to many-body interactions that lead to a slowdown of the rotational diffusion. The article further considers the dynamical behavior of a tracer particle in the solution of active dumbbells. Interestingly, the speed of the passive tracer particle displays a crossover from monotonically decreasing to increasing with the tracer particle's size upon increasing the dumbbells' speed. Furthermore, the effective diffusion of the tracer particle displays the non-monotonic behavior with area fraction; the initial increase of the diffusivity is followed by a decrease for larger area fraction.

Altermagnets have emerged as a class of materials combining certain ferromagnetic properties with zero net magnetization. This combination is highly promising for spintronics, especially if a material can be brought to a nanoscale size. However, experimental studies of the 2D limit of altermagnets and evolution of their properties with thickness are lacking. Here, we study epitaxial films on silicon of the Weyl altermagnet GdAlSi ranging from more than a hundred unit cells to a single unit cell. The films are synthesized by molecular beam epitaxy and, expectedly, do not show any discernible net magnetic moments. Electron transport studies reveal a remarkable transformation of the electron state with the film thickness. Thick films exhibit negative longitudinal magnetoresistance associated with the chiral anomaly but do not demonstrate altermagnetic properties in electron transport due to symmetry restrictions. In ultrathin films, a spontaneous anomalous Hall effect manifests itself, indicating a non-relativistic spin splitting in the electronic structure. The transformation is associated with crystal symmetry breaking accompanying the 3D-to-2D crossover. The work highlights the role of dimensionality in altermagnetism and provides a platform for studies of altermagnets aiming at ultra-compact spintronics.

Understanding the atomistic mechanism in graphene growth is crucial for controlling the number of layers or domain sizes to meet practical needs. In this work, focusing on the growth of graphene by chemical vapor deposition on copper substrates, the surface kinetics in the growth are systematically investigated by first-principles calculations. The phase diagram, predicting whether the growth mode is monolayer graphene or bilayer graphene under various experimental conditions, is constructed based on classical nucleation theory. Our phase diagram well illustrates the effect of high hydrogen pressure on bilayer graphene growth and clarifies the mechanism of the most widely used experimental growth approaches. The phase diagram can provide guidance and predictions for experiments and inspires the study of other two-dimensional materials with graphene-like growth mechanisms.

Superfluid and dissipative regimes in the dynamics of a two-component quasi-one-dimensional Bose-Einstein condensate (BEC) with unequal atom numbers in the components have been explored. The system supports localized waves of the symbiotic type owing to the same-species repulsion and cross-species attraction. The minority BEC component moves through the majority component and creates excitations. To quantify the emerging excitations we introduce a time-dependent function called disturbance. Through numerical simulations of the coupled Gross-Pitaevskii equations with periodic boundary conditions, we have revealed a critical velocity of the localized wave, above which a transition from superfluid to dissipative regime occurs, evidenced by a sharp increase in the disturbance function. The factors responsible for the discrepancy between the actual critical velocity and the speed of sound, expected from theoretical arguments, have been discussed.

Volatile organic compounds (VOCs) emitted by food products are considered markers for assessing quality of food. In this work, first-principles Density Functional Theory (DFT) and Non-equilibrium Green's function (NEGF) methods have been employed to model chemo-resistive gas sensor based on two-dimensional silicene based nanosheets that can sense the six different VOCs emitted by standard food products. Our calculations with unpassivated and flourine passivated silicene(F-silicene) sheets as sensor materials show that flourine passivated silicene has significantly better sensitivity towards all six VOC molecules (Acetone, Dimethylsulfide, Ethanol, Methanol, Methylacetate and Toluene). Moreover, flourinated silicene sensor is found to be capable of separately recognising four VOCs, a much better performance than r-GO used in a recent experiment. We analyse the microscopic picture influencing sensing capabilities of un-passivated and fluorinated silicene from the perspectives of adsorption energy, charge transfer and changes in the electronic structure. We find that better sensing ability of fluorinated silicene nanosheet can be correlated with the changes in the electronic structures near the Fermi level upon adsorption of different VOCs. The results imply that passivated silicene can work better as a sensor than r-GO in case of generic food VOCs. The results are important since modelling of various two-dimensional nano-sensors can be done in the similar way for detection of more complex VOCs emitted by specific food products.

Metallic hydrogen, existing in remarkably extreme environments, was predicted to exhibit long-sought room-temperature superconductivity. Although the superconductivity of metallic hydrogen has not been confirmed experimentally, superconductivity of hydrogen in hydrides was recently discovered with remarkably high critical temperature as theoretically predicted. In recent years, theoretical simulations have become a new paradigm for material science, especially exploration of material at extreme pressure. As the typical high-pressure material, metallic hydrogen has been providing a fertile playground for advanced simulations for long time. Simulations not only provide the substitute of experiments for hydrogen at high-pressure, but also encouraged the discovery of almost all the experimentally discovered superconducting hydrides with the record high superconducting transition temperature. This work reviews recent progress in hydrogen and hydrides under extreme pressure, focusing on phase diagram, structures and the long-sought goal of high-temperature superconductivity. In the end, we highlight structural features of hydrides for realization of hydrogen-driven superconducting hydrides near ambient pressure.

Transformer-based models have demonstrated exceptional performance across diverse domains, becoming the state-of-the-art solution for addressing sequential machine learning problems. Even though we have a general understanding of the fundamental components in the transformer architecture, little is known about how they operate or what are their expected dynamics. Recently, there has been an increasing interest in exploring the relationship between attention mechanisms and Hopfield networks, promising to shed light on the statistical physics of transformer networks. However, to date, the dynamical regimes of transformer-like models have not been studied in depth. In this paper, we address this gap by using methods for the study of asymmetric Hopfield networks in nonequilibrium regimes --namely path integral methods over generating functionals, yielding dynamics governed by concurrent mean-field variables. Assuming 1-bit tokens and weights, we derive analytical approximations for the behavior of large self-attention neural networks coupled to a softmax output, which become exact in the large limit size. Our findings reveal nontrivial dynamical phenomena, including nonequilibrium phase transitions associated with chaotic bifurcations, even for very simple configurations with a few encoded features and a very short context window. Finally, we discuss the potential of our analytic approach to improve our understanding of the inner workings of transformer models, potentially reducing computational training costs and enhancing model interpretability.

Exploration of nontrivial superconductivity and electronic band topology is at the core of condensed matter physics and applications to quantum information. The transition-metal dichalcogenide (TMDC) MoTe$_2$ has been proposed as an ideal candidate to explore the interplay between topology and superconductivity, but their studies remain limited because of the high-pressure environments required to control the topological phase transition. In this work, we demonstrate the tunable superconductivity and the resultant higher-order topology of MoTe$_2$ under extreme pressure. In the pressured T$_d$ phase, Andreev reflection spectroscopy reveals two-gap features, indicating that the Weyl fermions lead to a topological $s^{\pm}$-wave multigap superconductivity. On the other hand, the high-pressure 1T$'$ phase presents $p$-wave surface superconductivity emergent from the second-order topological bands via the bulk-to-surface proximity effect. Our analysis suggests that the topological hinge states generated from second-order topological bands evolve into zero-energy Majorana hinge states in the second-order topological superconductor. These results demonstrate the potential realization of topological superconductivity in MoTe$_2$, thus opening a pathway for studying various topological natures of TMDC materials.

The computational power and fault-tolerance of future large-scale quantum processors derive in large part from the connectivity between the qubits. One approach to increase connectivity is to engineer qubit-qubit interactions at a distance. Alternatively, the connectivity can be increased by physically displacing the qubits. This has been explored in trapped-ion experiments and using neutral atoms trapped with optical tweezers. For semiconductor spin qubits, several studies have investigated spin coherent shuttling of individual electrons, but high-fidelity transport over extended distances remains to be demonstrated. Here we report shuttling of an electron inside an isotopically purified Si/SiGe heterostructure using electric gate potentials. First, we form static quantum dots, and study how spin coherence decays as we repeatedly move a single electron between up to five dots. Next, we create a traveling wave potential to transport an electron in a moving quantum dot. This second method shows substantially better spin coherence than the first. It allows us to displace an electron over an effective distance of 10 {\mu}m in under 200 ns with an average fidelity of 99%. These results will guide future efforts to realize large-scale semiconductor quantum processors, making use of electron shuttling both within and between qubit arrays.

Unconventional orbital paramagnetism without enhancement of the density of states was recently discovered in the nodal-line semimetal ZrSiS. Here, we propose a novel interband mechanism of orbital paramagnetism associated with the negative curvature of energy dispersions, which successfully explains the observed anomalous orbital paramagnetism. This negative curvature arises from energy fluctuations along the nodal line, inherent in realistic nodal-line materials. Our new mechanism indicates that such orbital paramagnetism serves as strong evidence for the existence of nodal lines not only in ZrSiS but potentially in various other nodal-line materials as well.

We design 3D-printed motor-driven active particles and find that their dynamics can be characterized using the model of overdamped chiral active Brownian particles (ABPs), as demonstrated by measured angular statistics and translational mean squared displacements (MSDs). Furthermore, we propose a minimal model that reproduces the double-peak velocity distributions and further predicts a transition from the single-peak to the double-peak displacement distributions in short-time regimes. The model provides a clear physics picture of these phenomena, originating from the competition between the active motion and the translational diffusion. Our experiments confirm such picture. The minimal model enhances our understanding of activity-driven non-Gaussian phenomena. The designed particles could be further applied in the study of collective chiral motions.

In this chapter, we discuss recent advances and new opportunities through methods of machine learning for the field of classical density functional theory, dealing with the equilibrium properties of thermal nano- and micro-particle systems having classical interactions. Machine learning methods offer the great potential to construct and/or improve the free energy functional (the central object of density functional theory) from simulation data and thus they complement traditional physics- or intuition-based approaches to the free energy construction. We also give an outlook to machine learning efforts in related fields, such as liquid state theory, electron density functional theory and power functional theory as a functionally formulated approach to classical nonequilibrium systems.

We numerically investigate the meniscus-guided coating of a binary fluid mixture containing a solute and a volatile solvent that phase separates via spinodal decomposition. Motivation is the evaporation-driven deposition of material during the fabrication of organic thin film electronics. We find a transition in the phase-separation morphology from an array of droplet-shaped domains deposited periodically parallel to the slot opening to isotropically dispersed solute-rich droplets with increasing coating velocity. This transition originates from the competition between the hydrodynamic injection of the solution into the film and diffusive transport that cannot keep up with replenishing the depletion of solute near the solute-rich domains. The critical velocity separating the two regimes and the characteristic length scale of the phase-separated morphologies are determined by the ratio of two emergent length scales: (i) the spinodal length, which implicitly depends on the evaporation rate and the properties of the solution, and (ii) a depletion length proportional to the ratio of the tracer diffusivity of the solute and the coating velocity. For coating below the critical velocity, an array of droplet-shaped domains is deposited periodically parallel to the slot opening, with the domain size and deposition wavelength proportional to a solute depletion length. As the competition in the mass transport is inherent in any kind of unidirectional deposition of demixing solutions, our findings should apply to a broad range of coating techniques and forced demixing processes.

Density functional theory (DFT) is a powerful tool for quantum-mechanical calculations, but practical calculations suffer systematic errors like incorrect charge densities and total energies in molecular dissociation, underestimated band gaps in bulk materials, and poor energy level alignment at interfaces. These problems are due to delocalization error. The localized orbital scaling correction (LOSC) removes delocalization error in molecules effectively, but screening of the Hartree-exchange-correlation response is necessary to correct it in materials. We introduce LOSC with system-dependent linear-response screening (lrLOSC), which effectively corrects delocalization error in semiconductors and insulators. After correcting for electron-phonon effects, the band gaps of eleven test systems are predicted with a mean absolute error of 0.28 eV, comparable to self-consistent $GW$. This method represents a significant step forward in correcting densities and total energies across system sizes and solving the band gap and energy level alignment problems entirely within the DFT framework.

Photo-doped Mott insulators can exhibit novel photocarrier transport and relaxation dynamics and non-equilibrium phases. However, time-resolved real-space imaging of these processes are still lacking. Here, we use scanning ultrafast electron microscopy (SUEM) to directly visualize the spatial-temporal evolution of photoexcited species in a spin-orbit assisted Mott insulator {\alpha}-RuCl3. At low optical fluences, we observe extremely long hot photocarrier transport time over one nanosecond, almost an order of magnitude longer than any known values in conventional semiconductors. At higher optical fluences, we observe nonlinear features suggesting a photo-induced insulator-to-metal transition, which is unusual in a large-gap Mott insulator. Our results demonstrate the rich physics in a photo-doped Mott insulator that can be extracted from spatial-temporal imaging and showcase the capability of SUEM to sensitively probe photoexcitations in strongly correlated electron systems.

Understanding surface forces of two-dimensional (2D) materials is of fundamental importance as they govern molecular dynamics and atomic deposition in nanoscale proximity. Despite recent observations in wetting transparency and remote epitaxy on substrate-supported graphene, very little is known about the many-body effects on their van der Waals (vdW) interactions, such as the role of surrounding vacuum in wettability of suspended 2D monolayers. Here we report on a stark repulsive Lifshitz-van der Waals (vdW) force generated at surfaces of suspended 2D materials, arising from quantum fluctuation coupled with the atomic thickness and birefringence of 2D monolayer. In combination with our theoretical framework taking into account the many-body Lifshitz formulism, we present direct measurement of Lifshitz-vdW repulsion on suspended graphene using atomic force microscopy. We report a repulsive force of up to 1.4 kN/m$^2$ at a separation of 8.8 nm between a gold-coated AFM tip and a sheet of suspended graphene, more than two orders of magnitude greater than the Casimir-Lifshitz repulsion demonstrated in fluids. Our findings suggest that suspended 2D materials are intrinsically repulsive surfaces with substantially lowered wettability. The amplified Lifshitz-vdW repulsion could offer technological opportunities such as molecular actuation and controlled atomic assembly.

The effect of the spin-orbit coupling on the ground state properties of the square-lattice three-band Hubbard model with a single electron per site is studied by a generalized Hartree-Fock approximation. We calculate the full phase diagram and show that there appear additional orbital-entangled phases brought about by competition of various exchange channels or by the spin-orbit coupling in addition to conventional states stabilized by the Kugel-Khomskii mechanism. One of these phases previously proposed to explain magnetic properties of Sr$_2$VO$_4$ is characterized by vanishing dipolar magnetic moments and antiferro-octupolar ordering. We calculated microscopic parameters for this material and demonstrate that it is located near a phase boundary of two orbital-entangled and two conventional antiferromagnetic ferro-orbital states.

Persistent currents (PCs) in mesoscopic rings have been a subject of intense investigation since their proposal by B\"uttiker, Landauer, and Imry in 1983. In this paper, we explore the behavior of PC in spin-orbit coupled rings under the influence of a Zeeman field, contrasting it with traditional PC observed in rings threaded by magnetic flux. Our study reveals that the emergence of PC in our setup crucially depends on nonzero values of spin-orbit coupling and the Zeeman field. Through theoretical analysis and numerical calculations, we uncover several intriguing phenomena. Specifically, in ballistic rings, we observe an inverse proportionality between PC and system size, with PC being zero at half filling for even numbers of sites. Additionally, the introduction of on-site disorder leads to the suppression of PC, with exponential decay observed for large disorder strengths and quadratic decay for smaller disorder strengths. Notably, disorder can enhance PC in individual samples, albeit with a configuration-averaged PC of zero. Furthermore, we find that the standard deviation of PC increases with disorder strength, reaching a maximum before decreasing to zero at high disorder strengths. Our findings shed light on the intricate interplay between spin-orbit coupling, Zeeman fields, and disorder in mesoscopic quantum systems, offering new avenues for theoretical exploration and experimental verification.

The quantum anomaly of a global symmetry is known to strongly constrain the allowed low-energy physics in a clean and isolated quantum system. However, the effect of quantum anomalies in disordered systems is much less understood, especially when the global symmetry is only preserved on average by the disorder. In this work, we focus on disordered systems with both average and exact symmetries $A\times K$, where the exact symmetry $K$ is respected in every disorder configuration, and the average $A$ is only preserved on average by the disorder ensemble. When there is a mixed quantum anomaly between the average and exact symmetries, we argue that the mixed state representing the ensemble of disordered ground states cannot be featureless. While disordered mixed states smoothly connected to the anomaly-compatible phases in clean limit are certainly allowed, we also found disordered phases that have no clean-limit counterparts, including the glassy states with strong-to-weak symmetry breaking, and average topological orders for certain anomalies. We construct solvable lattice models to demonstrate each of these possibilities. We also provide a field-theoretic argument to provide a criterion for whether a given average-exact mixed anomaly admits a compatible average topological order.

Calculation of Raman scattering from molecular dynamics (MD) simulations requires accurate modeling of the evolution of the electronic polarizability of the system along its MD trajectory. For large systems, this necessitates the use of atomistic models to represent the dependence of electronic polarizability on atomic coordinates. The bond polarizability model (BPM) is the simplest such model and has been used for modeling the Raman spectra of molecular systems but has not been applied to solid-state systems. Here, we systematically investigate the accuracy and limitations of the BPM parameterized from density functional theory (DFT) results for a series of simple molecules such as CO2, SO2, H2S, H2O, NH3, and CH4, the more complex CH2O, CH3OH and CH3CH2OH and thiophene molecules and the BaTiO3 and CsPbBr3 perovskite solids. We find that BPM can reliably reproduce the overall features of the Raman spectra such as shifts of peak positions. However, with the exception of highly symmetric systems, the assumption of non-interacting bonds limits the quantitative accuracy of the BPM; this assumption also leads to qualitatively inaccurate polarizability evolution and Raman spectra for systems where large deviations from the ground state structure are present.

Bacterial communities are pivotal to maintaining ecological function and preserving the rich tapestry of biological diversity. The rapid development of environmental sequencing technologies, such as metagenomics, has revolutionized our capacity to probe such diversity. However, despite these advances, a theoretical understanding connecting empirical data with ecosystem modelling, in particular in the framework of disordered systems akin to spin glasses, is still in its infancy. Here, we present a comprehensive framework using theories of disordered systems to decode microbiome data, which offers insight into the ecological forces that shape macroecological states. By employing the quenched disordered generalized Lotka-Volterra model, we analyze species abundance data in healthy and diseased human gut microbiomes. Results reveal the emergence of two distinct patterns of species-interaction networks, elucidating the pathways through which dysbiosis may drive microbiome instability. Interaction patterns thus provide a window into the systemic shifts accompanying the transition from health to disease, offering a new perspective on the dynamics of the microbial community. Our findings suggest the potential of disordered systems theory to characterize microbiomes by capturing the essence of ecological interactions and their consequences on stability and functioning, leveraging our understanding of the linkages of dysbiosis and microbial dynamics.

We study the relaxation of a highly collisional, ultracold but nondegenerate gas of polar molecules. Confined within a harmonic trap, the gas is subject to fluid-gaseous coupled dynamics that lead to a breakdown of first-order hydrodynamics. An attempt to treat these higher-order hydrodynamic effects was previously made with a Gaussian ansatz and coarse-graining model parameter [R. R. W. Wang & J. L. Bohn, Phys. Rev. A 108, 013322 (2023)], leading to an approximate set of equations for a few collective observables accessible to experiments. Here we present substantially improved reduced-order models for these same observables, admissible beyond previous parameter regimes, discovered directly from particle simulations using the WSINDy algorithm (Weak-form Sparse Identification of Nonlinear Dynamics). The interpretable nature of the learning algorithm enables estimation of previously unknown physical quantities and discovery of model terms with candidate physical mechanisms, revealing new physics in mixed collisional regimes. Our approach constitutes a general framework for data-driven model identification leveraging known physics.

We recently demonstrated a steady-state Bose-Einstein condensate of strontium atoms. We could turn this into a perpetual atom laser if an efficient outcoupling mechanism is found. Here we show a coherent three-photon excitation of the clock transition in a strontium BEC with contrast of over 50\%. We follow it up with a demonstration of three-photon STIRAP-like transfer. In the future, we could use this process to coherently outcouple the atoms from a trap operating at tune-out wavelength.

Quantitative simulation of electronic structure of solids requires the treatment of local and non-local electron correlations on an equal footing. Dynamical mean-field theory, a widely-used quantum embedding algorithm that assumes local self-energy approximation, is challenging to extend to capture long-range electron correlation. In this work, we present a new formulation of Green's function embedding that, instead of embedding the impurity in non-interacting bath through the hybridization function, derives bath representation with general two-particle interactions in a fully ab initio and systematically improvable manner. The resulting interacting-bath dynamical embedding theory (ibDET) simulates local and non-local self-energies using high-level quantum chemistry solvers, such as the coupled-cluster theory. We demonstrate that ibDET combined with the GW theory (GW+ibDET) achieves good agreements with experimental band structure and photoemission spectra while preserving translational symmetry across a range of semiconducting, insulating, and metallic materials. Furthermore, our approach allows quantifying the role of non-local electron correlation in determining spectral properties of materials and addressing the long-standing debate over the bandwidth narrowing of metallic sodium.

We present a model for an accurate description of the large-signal resonant-tunneling-diode (RTD) dynamics, which allows for a simple and intuitive analysis in terms of dynamical trajectories in a phase space. We show that the RTD admittance can be accurately described by a simple RLRC equivalent circuit, which has a universal configuration, but with different circuit parameters in the large- and small-signal cases.

A natural definition for instanton density operator in lattice QCD has been long desired. We show this problem is, and has to be, resolved by higher category theory. The problem is resolved by refining at a conceptual level the Yang-Mills theory on lattice, in order to recover the homotopy information in the continuum, which would have been lost if we put the theory on lattice in the traditional way. The refinement needed is a generalization -- through the lens of higher category theory -- of the familiar process of Villainization that captures winding in lattice XY model and Dirac quantization in lattice Maxwell theory. The apparent difference is that Villainization is in the end described by principal bundles, hence familiar, but more general topological operators can only be captured on the lattice by more flexible structures beyond the usual group theory and fibre bundles, hence the language of categories becomes natural and necessary. The key structure we need for our particular problem is called multiplicative bundle gerbe, based upon which we can construct suitable structures to naturally define the 2d Wess-Zumino-Witten term, 3d skyrmion density operator and 4d hedgehog defect for lattice $S^3$ (pion vacua) non-linear sigma model, and the 3d Chern-Simons term, 4d instanton density operator and 5d Yang monopole defect for lattice $SU(N)$ Yang-Mills theory. In a broader perspective, higher category theory enables us to rethink more systematically the relation between continuum quantum field theory and lattice quantum field theory. We sketch a proposal towards a general machinery that constructs the suitably refined lattice degrees of freedom for a given non-linear sigma model or gauge theory in the continuum, realizing the desired topological operators on the lattice.

Quasinormal modes of spacetimes with event horizons are typically governed by a non-normal operator. This gives rise to spectral instabilities, a topic of recent interest in the black hole pseudospectrum programme. In this work we show that non-normality leads to the existence of arbitrarily long-lived sums of short-lived quasinormal modes, corresponding to localising packets of energy near the future horizon. There exist sums of $M$ quasinormal modes whose lifetimes scale as $\log{M}$. This transient behaviour results from large cancellations between non-orthogonal quasinormal modes. We provide simple closed-form examples for a massive scalar field in the static patch of dS$_{d+1}$ and the BTZ black hole. We also provide numerical examples for scalar perturbations of Schwarzschild-AdS$_{d+1}$, and gravitational perturbations of Schwarzschild in asymptotically flat spacetime, using hyperboloidal foliations. The existence of these perturbations is linked to certain properties of black hole pseudospectra. We comment on implications for thermalisation times in holographic plasmas.

A striking prediction from the random matrix theory in mesoscopic physics is the existence of "open channels": waves that can use multipath interference to achieve perfect transmission across an opaque disordered medium even in the multiple-scattering regime. Realization of such open channels requires a coherent control of the complete incident wavefront. To date, the open channels have only been demonstrated in scalar two-dimensional (2D) structures, both experimentally and with numerical studies. Here, we utilize a recently proposed "augmented partial factorization" full-wave simulation method to compute the scattering matrix from 3D vectorial Maxwell's equations and demonstrate the existence of open channels in 3D disordered media. We examine the spatial profile of such open channels, demonstrate the existence of a bimodal transmission eigenvalue distribution with full control, and study the effects of incomplete polarization control and of a finite illumination area. This study confirms the validity of the random matrix theory in vectorial systems. The simulation framework provides full access to the complex multi-channel wave transport in 3D disordered systems, filling the gap left by experimental capabilities.

Toroidal dipole moments, which consist of enclosed circulating currents aligned along paths within a torus shape, can be experimentally achieved in metamaterials using various geometrical configurations. Here, we investigate the excitation of toroidal dipole moments in a core-shell nanosphere composed of dispersive materials within the framework of the Lorenz-Mie theory. By isolating the contributions related to volumetric oscillations of electric charges from those of transverse and radial current oscillations, we derive closed-form analytic expressions for the scattering coefficients associated with electric and magnetic toroidal dipole moments. These analytic expressions, obtained beyond the Rayleigh scattering regime and previously concealed within the Lorenz-Mie theory, agree with the Cartesian toroidal dipoles determined from the radial and transverse current oscillations. By exploring the resonances in these calculated coefficients, we demonstrate that the electric and magnetic toroidal dipole excitations can be manipulated and tuned for near- and far-field applications involving plasmonic core-shell nanoparticles and engineered metamaterials. We believe that our analytic results could shed light on some of the extraordinary effects obtained in Lorenz-Mie theory that depend on the interference of multipole coefficients, such as toroidal dipole-induced transparency, Fano resonances and superscattering of light.

In this work, we study a prototypical, experimentally accessible scenario that enables the systematic generation of so-called high-order rogue waves in atomic Bose-Einstein condensates. These waveforms lead to significantly and controllably more extreme focusing events than the famous Peregrine soliton. In one spatial dimension, we showcase conclusive numerical evidence that our scheme generates the focusing behavior associated with the first four rogue waves from the relevant hierarchy. We then extend considerations to anisotropic two-dimensional and even three-dimensional settings, establishing that the scheme can generate second order rogue waves despite the well-known limitation of finite-time blow up of focusing nonlinear Schr\"odinger equations.

This letter presents a high-dimensional analysis of the training dynamics for a single-layer nonlinear contrastive learning model. The empirical distribution of the model weights converges to a deterministic measure governed by a McKean-Vlasov nonlinear partial differential equation (PDE). Under L2 regularization, this PDE reduces to a closed set of low-dimensional ordinary differential equations (ODEs), reflecting the evolution of the model performance during the training process. We analyze the fixed point locations and their stability of the ODEs unveiling several interesting findings. First, only the hidden variable's second moment affects feature learnability at the state with uninformative initialization. Second, higher moments influence the probability of feature selection by controlling the attraction region, rather than affecting local stability. Finally, independent noises added in the data argumentation degrade performance but negatively correlated noise can reduces the variance of gradient estimation yielding better performance. Despite of the simplicity of the analyzed model, it exhibits a rich phenomena of training dynamics, paving a way to understand more complex mechanism behind practical large models.

In this paper, we explore the non-Hermitian transition matrix and its gravity dual. States in quantum field theories or gravity theories are typically prepared using Euclidean path integrals. We demonstrate that it is both natural and necessary to introduce non-Hermitian transitions to describe the state when employing different inner products in Euclidean quantum field theories. Transition matrices that are $\eta$-pseudo-Hermitian, with $\eta$ being positive-definite, play the same role as density matrices, where the operator $\eta$ is closely related to the definition of the inner product. Moreover, there exists a one-to-one correspondence between these transition matrices and density matrices. In the context of AdS/CFT correspondence, the Euclidean path integral in the boundary field theory can be translated to the bulk gravitational path integral. We provide an overview of the construction and interpretation of non-Hermitian spacetime. Specifically, we demonstrate the crucial role of the non-Hermitian transition matrix in realizing the thermofield concept in general cases and in understanding the gravity states dual to the eternal black hole. In this context, the pseudoentropy of the transition matrix can also be interpreted as black hole entropy. Finally, we highlight the strong subadditivity property of pseudoentropy, and the connection between non-Hermitian transition matrices and complex metrics.

Despite significant advancements in electrocatalysis for clean hydrogen fuel generation, the transition from concept to commercialization faces challenges due to the instability of electrocatalysts. This study delves into the exploration of a structurally and mechanically robust half-Heusler alloy, CoVSn, as an efficient electrocatalyst for hydrogen production. The synthesis of CoVSn was achieved using the arc-melting technique and optimized successfully into a cubic structure - a previously unattained and highly challenging feat. The resulting electrode, cut from the obtained CoVSn pellet, served as a self-supported electrocatalyst and initially generates a current density of 10 mA cm-2 at an overpotential of 244 mV. Remarkably, this overpotential decreased uniquely over time, reaches 202 mV after a durability testing of 12 hours, while maintaining its crystal structure integrity after the electrocatalysis process. This progressive enhancement in catalytic activity and structural stability underscores the significance of this research. The synergistic effect between Co and V atoms as pivotal active centers for hydrogen generation was evident, further enhanced by formation of high valance metal sites Co2O3 and V2O3 during the hydrogen evolution reaction. In essence, this study confirms the stability and promise of CoVSn in hydrogen generation, paving the way for exploring additional self-supported ternary intermetallics to enhance water-splitting efficiency.

The MPSDynamics.jl package provides an easy to use interface for performing open quantum systems simulations at zero and finite temperatures. The package has been developed with the aim of studying non-Markovian open system dynamics using the state-of-the-art numerically exact Thermalized-Time Evolving Density operator with Orthonormal Polynomials Algorithm (T-TEDOPA) based on environment chain mapping. The simulations rely on a tensor network representation of the quantum states as matrix product states (MPS) and tree tensor network (TTN) states. Written in the Julia programming language, MPSDynamics.jl is a versatile open-source package providing a choice of several variants of the Time-Dependent Variational Principle (TDVP) method for time evolution (including novel bond-adaptive one-site algorithms). The package also provides strong support for the measurement of single and multi-site observables, as well as the storing and logging of data, which makes it a useful tool for the study of many-body physics. It currently handles long-range interactions, time-dependent Hamiltonians, multiple environments, bosonic and fermionic environments, and joint system-environment observables.

Hedin's equations provide an elegant route to compute the exact one-body Green's function (or propagator) via the self-consistent iteration of a set of non-linear equations. Its first-order approximation, known as $GW$, corresponds to a resummation of ring diagrams and has shown to be extremely successful in physics and chemistry. Systematic improvement is possible, although challenging, via the introduction of vertex corrections. Considering anomalous propagators and an external pairing potential, we derive a new self-consistent set of closed equations equivalent to the famous Hedin equations but having as a first-order approximation the particle-particle (pp) $T$-matrix approximation where one performs a resummation of the ladder diagrams. This pp version of Hedin's equations offers a way to go systematically beyond the $T$-matrix approximation by accounting for low-order pp vertex corrections.

The excitation scheme is essential for single-photon sources as it prepares the exciton state, defines the decay dynamics, and influences the spectral diffusion of the emitted single photons. Here, we investigate the impact of different optical excitation strategies on the single-photon emission characteristics of bilayer WSe$_2$ quantum emitters. Under phonon-assisted excitation, we achieve narrow and stable single-photon emission with an excellent purity reaching $ 0.94\pm 0.02\,$. Furthermore, the decay time is reduced by more than an order of magnitude from $(16.65 \pm 2.39)\,$ns for above-band excitation to $(1.33 \pm 0.04)\,$ns for phonon-assisted excitation. Finally, we observe a suppressed spectral wandering along with a two-fold reduction of the spectral linewidth. Our comprehensive investigation highlights the critical role of the excitation method in optimizing the performance of WSe$_2$-based quantum emitters.

Multi-component aggregates are being intensively researched in various fields because of their highly tunable properties and wide applications. Due to the complex configurational space of these systems, research would greatly benefit from a general theoretical framework for the prediction of stable structures, which, however, is largely incomplete at present. Here we propose a general theory for the construction of multi-component icosahedral structures by assembling concentric shells of different chiral and achiral types, consisting of particles of different sizes. By mapping shell sequences into paths in the hexagonal lattice, we establish simple and general rules for building a wide variety of magic icosahedral structures, and we evaluate the optimal size-mismatch between particles in the different shells. Our predictions are confirmed by numerical simulations for different systems.

We present an original multi-state projective diabatization scheme based on the Green's function formalism that allows the systematic mapping of many-body ab initio calculations onto effective excitonic models. This method inherits the ability of the Bethe-Salpeter equation to describe Frenkel molecular excitons and intermolecular charge-transfer states equally well, as well as the possibility for an effective description of environmental effects in a QM/MM framework. The latter is found to be a crucial element in order to obtain accurate model parameters for condensed phases and to ensure their transferability to excitonic models for extended systems. The method is presented through a series of examples illustrating its quality, robustness, and internal consistency.

Neuronal networking supports complex brain functions, with neurotransmitters facilitating communication through chemical synapses. The release probability of neurotransmitters varies and is influenced by pre-synaptic neuronal activity. Recent findings suggest that blocking astrocytic N-Methyl-D-Aspartate (NMDA) receptors reduces this variation. However, the theoretical implications of this reduction on neuronal dynamics have not been thoroughly investigated. Utilizing continuous attractor neural network (CANN) models with short-term synaptic depression (STD), we explore the effects of reduced release probability variation. Our results show that blocking astrocytic NMDA receptors stabilizes attractor states and diminishes their mobility. These insights enhance our understanding of NMDA receptors' role in astrocytes and their broader impact on neural computation and memory, with potential implications for neurological conditions involving NMDA receptor antagonists.

The new generation of strained silicon nitride resonators harbors great promise for scanning force microscopy, especially when combined with the extensive toolbox of cavity optomechanics. However, accessing a mechanical resonator inside an optical cavity with a scanning tip is challenging. Here, we experimentally demonstrate a cavity-based scanning force microscope based on a silicon nitride membrane sensor. We overcome geometric constraints by making use of the extended nature of the mechanical resonator normal modes, which allows us to spatially separate the scanning and readout sites of the membrane. Our microscope is geared towards low-temperature applications in the zeptonewton regime, such as nanoscale nuclear spin detection and imaging.

Ising machines (IM) have recently been proposed as unconventional hardware-based computation accelerators for solving NP-hard problems. In this work, we present a model for a time-multiplexed IM based on the nonlinear oscillations in a delay line-based resonator and numerically study the effects that the circuit parameters, specifically the compression gain $\beta_r$ and frequency nonlinearity $\beta_i$, have on the IM solutions. We find that the likelihood of reaching the global minimum -- the global minimum probability (GMP) -- is the highest for a certain range of $\beta_r$ and $\beta_i$ located near the edge of the synchronization region of the oscillators. The optimal range remains unchanged for all tested coupling topologies and network connections. We also observe a sharp transition line in the ($\beta_i, \beta_r$) space above which the GMP falls to zero. In all cases, small variations in the natural frequency of the oscillators do not modify the results, allowing us to extend this model to realistic systems.

Diamond-like carbon thin films have emerged as durable, chemically stable optical coatings for many optical and optoelectronics applications due to their hardness, chemical inertness, and optical transparency. This paper presents a novel high-energy electron cyclotron resonance ion beam sputter deposition technique to fabricate pure diamond-like carbon coatings at room temperature. The chemical composition of the deposited coatings including ratios of sp2/sp3 bonding in the thin films were determined by X-ray photoelectron spectroscopy. Results indicate that the sp3 percentage ranges from 45% - 85%. The transmission and reflectance spectra of the coatings were measured from UV to IR ({\lambda}= 185 to 2500 nm) by utilizing a spectrophotometer. The measured spectra were analysed by the Tauc method to determine the optical band gap and Urbach energy and an optical fitting software, which utilizes the model modified by OJL, to extract the refractive index and extinction coefficient. By varying the ion energy, the optical properties were found to be n = 2.30 - 2.51, band gap energy = 0.4 - 0.68 eV, and the Urbach energy = 0.33 - 0.49 eV. This study provides a flexible method for tuning the structural, optical, and electronic properties of diamond-like carbon coatings by controlling the ion energy during deposition.

Fractons are exotic quasiparticles whose mobility in space is restricted by symmetries. In potential real-world realisations, fractons are likely lodged to a physical material rather than absolute space. Motivated by this, we propose and explore a new symmetry principle that restricts the motion of fractons relative to a physical solid. Unlike models with restricted mobility in absolute space, these fractonic solids admit gauge-invariant momentum density, are compatible with boost symmetry, and can consistently be coupled to gravity. We also propose a holographic model for fractonic solids.

We investigate the bulk reconstruction of AdS black hole spacetime emergent from quantum entanglement within a machine learning framework. Utilizing neural ordinary differential equations alongside Monte-Carlo integration, we develop a method tailored for continuous training functions to extract the general isotropic bulk metric from entanglement entropy data. To validate our approach, we first apply our machine learning algorithm to holographic entanglement entropy data derived from the Gubser-Rocha and superconductor models, which serve as representative models of strongly coupled matters in holography. Our algorithm successfully extracts the corresponding bulk metrics from these data. Additionally, we extend our methodology to many-body systems by employing entanglement entropy data from a fermionic tight-binding chain at half filling, exemplifying critical one-dimensional systems, and derive the associated bulk metric. We find that the metrics for a tight-binding chain and the Gubser-Rocha model are similar. We speculate this similarity is due to the metallic property of these models.

We propose a novel quantum battery realized with a few interacting particles in a three-well system with different on-site energies, which could be realized with ultracold atom platforms. We prepare the initial state in the lowest energy well and charge the battery using a Spatial Adiabatic Passage (SAP)-based protocol, enabling the population of a higher energy well. We examine the charging under varying interaction strengths and reveal that the consideration of collective charging results in an intriguing oscillatory behavior of the final charge for finite interactions, through diabatic evolution. Our findings open a new avenue for building stable and controllable quantum batteries.

Neurons in the brain continuously process the barrage of sensory inputs they receive from the environment. A wide array of experimental work has shown that the collective activity of neural populations encodes and processes this constant bombardment of information. How these collective patterns of activity depend on single neuron properties is often unclear. Single-neuron recordings have shown that individual neural responses to inputs are nonlinear, which prevents a straightforward extrapolation from single neuron features to emergent collective states. In this work, we use a field theoretic formulation of a stochastic leaky integrate-and-fire model to study the impact of nonlinear intensity functions on macroscopic network activity. We show that the interplay between nonlinear spike emission and membrane potential resets can i) give rise to metastable transitions between active firing rate states, and ii) can enhance or suppress mean firing rates and membrane potentials in opposite directions.

Extremal elastic materials here refer to a specific class of elastic materials whose elastic matrices exhibit one or more zero eigenvalues, resulting in soft deformation modes that, in principle, cost no energy. They can be approximated through artificially designed solid microstructures. Extremal elastic materials have exotic bulk wave properties unavailable with conventional solids due to the soft modes, offering unprecedented opportunities for manipulating bulk waves, e.g., acting as phonon polarizers for elastic waves or invisibility cloaks for underwater acoustic waves. Despite their potential, Rayleigh surface waves, crucially linked to bulk wave behaviors of such extremal elastic materials, have largely remained unexplored so far. In this paper, we theoretically investigate the propagation of Rayleigh waves in extremal elastic materials based on continuum theory and verify our findings with designed microstructure metamaterials based on pantographic structures. Dispersion relations and polarizations of Rayleigh waves in extremal elastic materials are derived, and the impact of higher order gradient effects is also investigated by using strain gradient theory. This study provides a continuum model for exploring surface waves in extremal elastic materials and may stimulate applications of extremal elastic materials for controlling surface waves.