Materials Science
Giant Rashba Splitting and Enhanced Nonlinear Berry-Phase Responses in Sliding-Tunable vdW MXene Heterostructures
Ali Sufyan, J. Andreas Larsson, Andreas Kreisel et al. (+1 more)
Chalcogen-terminated van der Waals MXenes (M2CX2; M = Nb, Ta; X = S, Se) provide a robust platform for exploring strong
spin-orbit coupling and proximity engineering. To probe their tunability and guide optimization of emergent properties, we systematically examine sister compounds and propose M2CS2/CrBr3
heterostructures that break time-reversal
symmetry via proximity exchange coupling, enabling combined intrinsic
magnetic and mechanical control. First-principles calculations reveal Rashba splitting up to 2.53 eV A and valley-contrasting
spin polarization in monolayers. These features drive strong second-order nonlinear responses, with pristine
bilayer Ta2CS2 reaching a shift current of |sigma|_max approx 5 A mA/V^2 and Nb2CS2/CrBr3 attaining |D|_max approx 18.44 A. In M2CS2/CrBr3
heterostructures, the
ferromagnetic substrate induces a magnetization-reversible proximity exchange field with valley-selective conduction-band renormalization (Delta_val approx 50 meV). Crucially, interfacial geometry, controlled by stacking inversion and lateral sliding, acts as a mechanical knob that continuously tunes the exchange-SOC interplay and bandgap, driving an emergent
quantum anomalous
Hall phase in the
bilayer.
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All authors Ali Sufyan, J. Andreas Larsson, Andreas Kreisel, Erik van Loon
Mesoscale and Nanoscale Physics
Purcell enhancement in layered InSe on the Mie-resonant silicon nitride waveguide
A.I. Veretennikov, E.A. Shepelev, A.S. Shorokhov et al. (+4 more)
Layered van der Waals
semiconductors are promising active materials for nanoscale photonic and optoelectronic devices because their excitonic emission can be integrated with heterogeneous photonic architectures. For on-chip applications, this emission must be efficiently coupled to guided modes, while its recombination dynamics should be controlled by the local photonic environment. Although dielectric waveguides enable such integration, substantial control over radiative recombination generally requires resonant engineering of the local photonic density of states. Resonant dielectric nanostructures provide such control by modifying the photonic environment while preserving compatibility with guided-wave photonic architectures. Here, we demonstrate Purcell-enhanced excitonic emission from a thin InSe flake integrated with a Mie-resonant Si$_3$N$_4$ waveguide. The structure incorporates a resonant nanoparticle array with a resonance that overlaps the InSe PL band, thereby enhancing excitonic coupling to the guided mode. Optical spectroscopy confirms the designed resonance, while micro-photoluminescence measurements reveal enhanced and spectrally selective waveguide-coupled emission. Time-resolved photoluminescence measurements show a threefold shortening of the excitonic decay time relative to planar InSe. Analysis of the decay dynamics using a simple rate-equation model yields an effective Purcell factor of approximately 3 for the dominant out-of-plane excitonic emission channel. These results establish Mie-resonant dielectric waveguides as a compact platform for on-chip control of excitonic recombination in layered
semiconductors.
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All authors A.I. Veretennikov, E.A. Shepelev, A.S. Shorokhov, P.A. Alekseev, I.A. Eliseyev, A.A. Fedyanin, M.V. Rakhlin
Statistical Mechanics
Effective sextic field theory for tricritical-critical crossover
Jose Gaite
Effective field theories provide a suitable framework for both particle physics and statistical physics. We delve deeper into the study of the effective three-dimensional scalar field theory for its application to statistical physics, especially considering the role of the sextic coupling in the tricritical-to-critical crossover. The three-loop renormalization of the mass and the two coupling constants that we perform allows us to obtain, for the first time, the complete renormalization group flow of the couplings in that order. We analyze what universality means in this problem and how we can recover non-universal terms from the renormalization group beta functions. The crossover is realized by the convergence of the renormalization group flow towards the line connecting the tricritical and critical fixed points.
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Materials Science
Molecular Nitrogen Formation in Nitrogen-Implanted (100) $\beta-Ga_2O_3$ Revealed by Temperature-Dependent $N$ $K$-edge XANES
I.N. Demchenko, Y. Syryanyy, A. Shokri et al. (+13 more)
The realization of $p$-type doping in wide-band-gap
oxide semiconductors remains a major challenge, particularly in $\beta-Ga_2O_3$ where nitrogen has long been considered a potential acceptor dopant but has consistently failed to produce hole conductivity. Here we investigate the microscopic configuration of implanted nitrogen in (100) $\beta-Ga_2O_3$ using temperature-dependent $N$ $K$-edge x-ray absorption spectroscopy. The spectra reveal a pronounced $\pi^*$ resonance characteristic of molecular nitrogen, which becomes increasingly dominant upon thermal annealing. First-principles calculations and multiple-scattering simulations reveal a pronounced tendency for nitrogen atoms to form $N-N$ bonded configurations in the $Ga_2O_3$
matrix, particularly in defect-rich environments created by ion implantation, reproducing the characteristic spectral features observed in the $N$ $K$-edge XANES spectra. Structural analysis further indicates that implantation induces a defect-rich near-surface layer with local $\beta$-to-$\gamma$-like structural motifs, highlighting the strongly nonequilibrium structural environment in which nitrogen incorporation occurs. Reported results show that implanted nitrogen preferentially forms molecular $N_2$-like configurations rather than substitutional acceptors. Our results provide a microscopic explanation for the long-standing failure of nitrogen acceptor doping in $\beta-Ga_2O_3$ and reveal dopant molecularization as a previously overlooked pathway for
impurity incorporation under strongly nonequilibrium implantation conditions.
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All authors I.N. Demchenko, Y. Syryanyy, A. Shokri, Y. Melikhov, M. Chernyshova, M. Turek, A. Droździel, F. Munnik, R. Jakieła, R. Minikayev, J.Z. Domagala, A. Derkachova, M. Zając, J. Krajczewski, E. Grzanka, Z.Galazka
Soft Condensed Matter
On the thermal properties of knotted block copolymer rings
Neda Abbasi Taklimi, Franco Ferrari, Marcin R. Piątek et al. (+1 more)
We investigate the thermal and structural properties of knotted diblock copolymer rings using a coarse-grained
lattice model in an implicit solvent. The system is studied by means of the Wang–Landau Monte Carlo
algorithm, allowing us to analyze thermodynamic and conformational responses over a wide temperature range. Different
knot topologies, including the unknot, trefoil, figure-eight, and pentafoil
knots, are considered for both symmetric and asymmetric monomer compositions. In the AB model employed here, A-type monomers are self-repulsive, B-type monomers are self-attractive, and A-B interactions are neutral, such that the solvent is effectively good for A-type monomers and poor for B-type monomers at low temperatures. We analyze several key observables, including the heat capacity, the radius of gyration, and its temperature derivative for both the entire copolymer ring and the individual blocks, and the probability that a monomer belongs to the knotted region. Our results show that the interplay between
knot topology, monomer composition, and temperature strongly influences
polymer conformations. Small variations in the B-block length induce nonmonotonic, reentrant-like conformational behavior as a function of temperature, including transitions between
knot localization and delocalization at low temperatures. These effects arise from the competition between energetic and entropic contributions imposed by topological constraints.
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All authors Neda Abbasi Taklimi, Franco Ferrari, Marcin R. Piątek, Luca Tubiana
Soft Condensed Matter
Interparticle Interactions in Nonlocal Media: Attraction and Repulsion from Charge-Polarization Coupling
Ali Behjatian and Madhavi Krishnan
Recent measurements of microsphere interactions in diverse media suggest that the standard dielectric-continuum models of solution-phase interactions are fundamentally incomplete. Experiments indicate that the interactions of charged particles in
liquids can be dominated by solvent structuring at interfaces, thereby motivating the concept of electrosolvation. While interfacial spectroscopy and molecular simulations have established that solvent molecules can exhibit net orientation at interfaces, conventional theoretical frameworks treat the fluid as a structureless medium described by a constant dielectric permittivity. This view does not envisage a contribution of interfacial polarization to interactions at longer range. Here, we employ nonlocal dielectric theory accounting for spatial correlations in polarization to describe interactions in solution. This model permits both charge and polarization to govern interactions, leading to dramatic departures from classical expectations. Specifically, the balance between charge and polarization generates a framework of symmetric (repulsive) and antisymmetric (attractive) interactions, wherein: (i) like-charged surfaces can attract at long range, (ii) oppositely charged objects can repel, and (iii) neutral matter can acquire effective electrical mobility and display long-range forces-potentially explaining long-range hydrophobic attraction. Further, like-charged biomolecules can attract in aqueous electrolytes even for modest polarization correlation lengths ($\xi=2$ Å). Our results also suggest that electrosolvation effects may underpin flocculation in suspended matter, which has traditionally been attributed to attractive dispersion forces. These findings indicate how solvent structuring and correlations may play a dominant, complex role in fluid-phase physics.
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Materials Science
Stacking-dependent thermoelectric transport in layered Sc_2Si_2Te_6 from first principles
Zhongjuan Han, Wu Xiong, Zhonghao Xia et al. (+2 more)
Stacking polymorphism is a common characteristic of van der Waals layered materials and can substantially modify their physical properties. Here, based on first-principles calculations combined with electron and
phonon transport theories, we systematically investigate the thermodynamic stability, electronic structure,
lattice dynamics, and thermoelectric performance of Sc_2Si_2Te_6 with three high-
symmetry stacking sequences, namely, AA, AB, and ABC. We find that the AA- and AB-stacked structures are nearly degenerate in energy with the experimentally reported ABC phase, and that the maximum sliding barrier among these stacking sequences is only about 10~meV/atom, thereby accounting for the stacking faults observed experimentally. These three stacking sequences exhibit distinct electronic structures, with the conduction-band minimum being highly sensitive to the stacking sequence. As a consequence, the conduction-band degeneracies are 12, 2, and 8 for the ABC, AA, and AB stackings, respectively, leading to markedly different electronic transport properties near the band edge. The
lattice thermal conductivity is governed primarily by three-
phonon scattering, whereas four-
phonon scattering provides an additional reduction, particularly in the ABC stacking. Among the three structures, the AB stacking exhibits the lowest
lattice thermal conductivity owing to its stronger three-
phonon scattering and lower
phonon group velocity. As a result, the maximum thermoelectric figure of merit, ZT, is achieved in the ABC structure, followed closely by the AB structure, whereas the AA structure shows a substantially reduced value. These results demonstrate that the stacking sequence exerts a non-negligible influence on the thermoelectric performance of Sc_2Si_2Te_6 and suggest that suppressing the formation of the AA stacking is important for achieving high thermoelectric performance.
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All authors Zhongjuan Han, Wu Xiong, Zhonghao Xia, WeiTong Huang, Jiangang He
Strongly Correlated Electrons
Boundary-dependent topological degeneracy in an Ising chain
E. S. Ma and Z. Song
The influence of boundary conditions on bulk properties is generally expected to vanish in the thermodynamic limit. Here we show that this expectation can fail in an open transverse field Ising chain with modified boundary fields. By removing only the transverse fields acting on the two edge
spins while leaving the bulk
Hamiltonian unchanged, we uncover a boundary-induced switching of the topological spectral degeneracy. In contrast to the conventional open chain, where the topological degeneracy occurs in the
ferromagnetic phase ($\left\vert g\right\vert <1$), the modified boundary condition shifts it to the paramagnetic phase ($\left\vert g\right\vert >1$). We demonstrate that the underlying mechanism originates from two exact local conserved quantities associated with the edge
spins, which partition the
Hilbert space into invariant sectors. Based on this structure, we establish an exact description in terms of domain-wall excitations, under which the
Hamiltonian decomposes into two independent Kitaev chains. Complementarily, the Majorana representation reveals that the spectral switching originates from different unit-
cell conventions and boundary terminations of the corresponding effective SSH
lattice, leading to distinct boundary zero-mode structures without altering the bulk
Hamiltonian. Furthermore, we show that the boundary-induced topological degeneracy remains observable at finite temperatures through non-Hermitian quench dynamics, providing a dynamical manifestation of the bulk-boundary correspondence. These results demonstrate that boundary engineering, through the introduction of local conserved boundary degrees of freedom, provides an effective route for controlling topological degeneracy in
quantum spin chains without modifying bulk interactions.
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Soft Condensed Matter
Orienting-Field Effects on Instability and Mode Selection in Active Nematics
I.K. Joseph, A.J.H. Houston, K.N. Kowal et al. (+1 more)
We examine the instabilities of a confined active nematic subjected to an orienting field using a low Reynolds number Ericksen-Leslie framework with active stresses and field-induced torques. Linear analysis reveals two distinct modes, with odd and even director
symmetry, the instabilities of which depend on the interplay between activity and field strength. We derive exact and approximate analytic forms of the stability boundaries and show that an orienting field that aligns the director perpendicular to the substrate anchoring direction cooperatively lowers activity thresholds and enables a field-driven even
symmetry mode instability, while an orienting field that aligns the director parallel to the substrate anchoring tends to stabilise the system. Numerical solutions of the full nonlinear equations show that the linear stability analysis correctly identifies the
symmetries of long-time states. These results demonstrate how orienting fields can promote an instability below the classical critical activity and can be used to both tune the instability onset and control the mode selection in confined active nematics.
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All authors I.K. Joseph, A.J.H. Houston, K.N. Kowal, N.J. Mottram
Strongly Correlated Electrons
Spin Quadrupolar orders in $d$-wave Unconventional Magnetism
Jian-Keng Yuan, Zhiming Pan and Congjun Wu
Unconventional magnetism represents a class of metallic states whose
Fermi surfaces exhibit
spin-dependent splittings under the non-trivial representations of the rotation group. The $d$-wave $\alpha$-phase unconventional
magnetic state, commonly known as altermagnet, recently, has attracted significant
attention. While these systems exhibit distinct anisotropic $d$-wave characteristics in momentum space, how this microscopic
topology translates into the
spin distributions in real space remains a question. In this work, we bridge the intrinsic
spin quadrupolar ordering in momentum space to the real-space staggered
magnetic distribution. By introducing a weak, non-
magnetic periodic
crystal potential into a $d$-wave unconventional
magnetic state, the
spin-charge cross susceptibility is calculated by using the linear response theory. We reveal that the interplay between the
crystal potential and the intrinsic $d$-wave
spin-splitting naturally induces a spatial
spin quadrupole distribution without enlarging the unit
cell. Our study thus provides a physical connection between momentum-space multipoles in the even partial wave channel and real-space
spin multipole orders.
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Mesoscale and Nanoscale Physics
Coherence, long-range transport and nuclear polarization in a driven-dissipative dark exciton condensate
Amit Jash, Maheswar Swar, Uri Shimon et al. (+2 more)
We report direct evidence for macroscopic coherence in a condensate of dark dipolar
excitons in coupled
quantum wells and show that its formation follows a non-
equilibrium, driven-dissipative mechanism. The condensation transition is governed by gain-loss competition, in which the exceptionally long lifetime of dark
excitons enables their dominance in mode selection. Condensate formation is revealed by photoluminescence darkening, changes in radiative recombination channels, and the emergence of long-range hydrodynamic transport manifested by propagation of density (sound) modes over millimeter-scale distances. The buildup of dark
exciton density induces dynamic
nuclear polarization, which closes the dark-bright
exciton gap, \Delta, via the Overhauser field. This leads to
nuclear spin polarization across the entire mesa, far beyond the optically excited region, and produces pronounced hysteresis behavior. At \Delta ~ 0 the gap is locked and the condensate loss are minimal, resulting in a second threshold manifested as a photoluminescence blueshift. Coherence is revealed through interference between incident and boundary-reflected
exciton currents, producing spatial modulation of the photoluminescence from the radiative reservoir and enabling extraction of the condensate coherence length. These results establish dark
excitons as a platform for coherent
quantum fluids in a driven-dissipative, strongly interacting regime with electrical tunability, bridging the physics of polariton condensates and matter-like excitonic systems.
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All authors Amit Jash, Maheswar Swar, Uri Shimon, Vladimir Umansky, Israel Bar-Joseph
Statistical Mechanics
Emergent critical phases of the Ashkin-Teller model on the Union-Jack Lattice
Changzhi Zhao, Wanzhou Zhang, Yuan Huang et al. (+2 more)
The Ashkin-Teller (AT) model is a classic
spin model in statistical mechanics. For traditional homogeneous
lattices like triangular and kagome
lattices, even when frustration exists, the model only has one
ferromagnetic-paramagnetic critical line in the $J>0$ and $K<0$ region. However, in this paper, for the Union Jack
lattice, where the
lattice coordination numbers are 4, 8, and 8 and which also contains a large number of small triangular units, using Metropolis Monte Carlo method, we find that, the critical line of the AT model splits into two Berezinskii-Kosterlitz-Thouless(BKT) boundaries, and a critical phase emerges in the intermediate region. This phenomenon is the combined result of frustration,
lattice inhomogeneity and the two coupled
spin degrees of freedom inherent to the AT model. In detail, the novel critical phase characterized by a power-law decay of magnetization with system size, where the correlation length ratio $\xi/L$ remains finite even in the thermodynamic limit. We also introduce the susceptibility $\widetilde{\chi} = \text{d}\langle m \rangle /\text{d}J$ as a key probe, and through this probe, pseudo-critical points $J_c(L)$ are observed to scale proportionally to $(\ln L)^{-2}$, a behavior consistent with BKT criticality. Since superfluids,
superconductors, and supersolids all possess quasi-long-range order and fall into the category of critical phases, our results could also inspire the exploration of such
quantum phases.
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All authors Changzhi Zhao, Wanzhou Zhang, Yuan Huang, Chengxiang Ding, Youjin Deng
Disordered Systems and Neural Networks
Microscopic origin of Boson peak in amorphous solids
Cunyuan Jiang
We proposed a non-analytic model to explain the microscopic origin of the anomalous vibrational density of states (DOS), the
Boson peak (BP), in amorphous solids based on the scalar dynamical
matrix of a network with springs and nodes. We argue that disorder can be classified into two factors: fluctuation of spring strength and fluctuation of coordination numbers (the number of springs connected to a node). The results suggest that BP originates solely from fluctuation of coordination numbers, while the fluctuation of spring strength only contributes to the effect of damping and has very limited effect on low frequency DOS. This work converts complexity into simplicity and provides a direct answer to the puzzle of the microscopic origin of BP in amorphous solids.
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Disordered Systems and Neural Networks · Cross-listed from nlin.PS
Classification of Chimera States via Fourier Analysis and Unsupervised Learning
Rommel Tchinda Djeudjo, Riccardo Muolo, Thierry Njougouo et al. (+1 more)
Chimera states are among the most intriguing phenomena in nonlinear dynamics, characterized by the coexistence of coherent and incoherent behavior in systems of coupled identical oscillators. Many methods have been proposed to detect chimera states and to distinguish their different types. However, such methods often suffer from important limitations that prevent sufficiently precise classification. In this work, we overcome the issue by considering a method based on
Fourier analysis to determine key signal characteristics such as amplitude, phase, and frequency, jointly with an unsupervised clustering step acting on normalized total variations, measures of local spatial changes of the above-mentioned dynamical features. The proposed method allows us to identify regions in parameter space returning chimera states, but also to further distinguish between the different types. The method is applied to a network of Rayleigh oscillators, which has been shown to exhibit a rich variety of dynamical patterns.
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All authors Rommel Tchinda Djeudjo, Riccardo Muolo, Thierry Njougouo, Timoteo Carletti
Statistical Mechanics
Power spectral density of trajectories of active Ornstein-Uhlenbeck particles
Yeongjin Kim, Gleb Oshanin and Jae-Hyung Jeon
The power spectral density (PSD) is a central frequency-domain descriptor of
stochastic processes. While PSDs have been studied for Brownian motion and a few anomalous
diffusion processes, the spectral densities of active nonequilibrium processes remain almost unexplored. Here, we present an exact theory for the PSDs of active
diffusion using the model of active Ornstein-Uhlenbeck particles (AOUPs). We investigate the spectral densities of AOUPs in free space and under harmonic confinement. In free space, active motion does not alter the Brownian $f^{-2}$ spectrum, but only modifies its amplitude and introduces a crossover at the persistence frequency. Under confinement, the spectrum exhibits a rich variety of features depending on the persistence, trap relaxation, and activity strength, including two characteristic signatures that are absent in both thermal systems and free AOUPs. These are a two-plateau structure from a double-trapping mechanism due to two noise sources, and the new $f^{-4}$ spectral scaling associated with transient ballistic motion. We also investigate the finite time effects through the finite-time PSD, and find that the low-frequency plateau and high frequency oscillation exhibit distinct dependences on the observation time $T$ in free and confined systems. Finally, we discuss our results in connection with previously reported experimental studies of active systems. Our results provide an analytically tractable framework for interpreting such systems.
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Materials Science
Characterizing Dislocation Substructures in Creep-Deformed Olivine Using Electron Channeling Contrast Imaging
M. Haroon Qaiser, Jessica White, David Wallis et al. (+1 more)
Olivine is the dominant mineral in Earth's upper mantle and therefore controls mantle rheology and the mechanics of plate tectonics. The constitutive laws for dislocation-mediated deformation of olivine depend on the nature, density, and arrangements of dislocations within
crystals. Hence, imaging and characterizing these defects is important, albeit challenging. Traditional imaging approaches involve (1) transmission electron microscopy (TEM), which samples small areas and requires extensive preparation and (2) oxidation decoration methods that have low spatial resolution and cannot distinguish dislocations of opposite Burgers vectors. Here, we apply electron channeling contrast imaging (ECCI) to unlock insight into the deformation structures within olivine, and combined with electron backscatter diffraction (EBSD) and weighted Burgers vector (WBV) mapping as an informative route to characterize dislocation substructures in bulk materials. Specifically, we have used an ECCI workflow based on selected-area electron channeling patterns (SA-ECPs) and we apply this workflow to a single
crystal of San Carlos olivine that was deformed by creep at high temperature. ECCI micrographs reveal subgrain boundaries, surface threading dislocations, and dislocation loops across representative areas. The observations demonstrate that this workflow can reliably reveal the complexity of subgrain boundaries in olivine, which can host multiple dislocation types and exhibit non-planar geometries. Despite the limited number of slip systems in olivine, subgrain boundaries can form complex, mixed assemblies. Overall, such observations can provide a variety of constraints on dislocation types, morphologies, and distributions, which are required to parameterize and calibrate models of transient and steady-state dislocation creep in olivine and other materials.
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All authors M. Haroon Qaiser, Jessica White, David Wallis, T. Ben Britton
Materials Science · Cross-listed from physics.chem-ph
Systematic Fine-Tuning of MACE Interatomic Potentials for Catalysis
Nima Karimitari, Jacob Clary, Derek Vigil-Fowler et al. (+3 more)
Once trained, machine-learned interatomic potentials (MLIPs) provide a fast and accurate way to study catalytic reaction pathways, but their performance strongly depends on the training set. Here, we compare nine MLIPs trained with different data sets and strategies, including from-scratch (FS) training and fine-tuning (FT) of large foundation models. The models are evaluated on reaction energies, $E_{r}$, and reaction energy barriers, $E_{a}$, for 141 reactions, including CO$_2$ reduction to C$_2$ and C$_3$ products, propane dehydrogenation, hydrogen intercalation on Pd, and out-of-distribution oxygen
evolution reaction (OER) on metal
oxides. FS models trained with 5%–10% perturbed high-energy configurations from molecular dynamics or contour exploration reduce the error by more than twofold compared with models trained only on relaxation trajectories. In contrast, FT MLIPs are less sensitive to sampling and transfer well to out-of-distribution reactions. An MLIP fine-tuned on metallic catalysts achieves a 0.30 eV MAE for OER on iridium
oxide polymorphs, outperforming out-of-the-box MACE-MH-1 by 0.08 eV and the best FS model by 0.14 eV. A model fine-tuned to O and OH adsorption on metal
oxides gives a 0.19 eV reaction-barrier MAE for out-of-distribution CO$_2$RR on Cu, comparable to an FS model trained on in-distribution C–C bond-breaking reactions. Finally, a large MLIP fine-tuned on 49,860 configurations gives the best overall performance across metallic and metal-
oxide catalysts and was used to screen a large left-out set of bimetallic
alloys, achieving a 0.15 eV MAE for $E_{r}$, even for adsorbates on unseen Miller-index surfaces such as (532). This work identifies the training configurations needed for accurate FS and FT MLIPs for catalytic reaction modeling.
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All authors Nima Karimitari, Jacob Clary, Derek Vigil-Fowler, Ravishankar Sundararaman, Gábor Csányi, Christopher Sutton
Strongly Correlated Electrons · Cross-listed from quant-ph
Truncating loopy tensor networks by zero-mode gauge fixing: the $Z_2$ lattice gauge theory at finite temperature
Jacek Dziarmaga
Loopy tensor networks exhibit internal correlations that often render their compression inefficient. We show that even local bond optimization can more effectively exploit locally available information about relevant loop correlations. By cutting a bond, we define a set of states whose linear dependence can be identified through a zero mode of the states' metric tensor and used to truncate the bond dimension. In the absence of an exact zero mode, a linear combination of a small number of the lowest modes can instead be optimized to provide the optimal approximation to a zero mode. The truncation does not require prior gauge fixing. The method is applied to the two-dimensional finite-temperature $Z_2$
lattice gauge theory, whose thermal-state purification is represented by an infinite projected entangled-pair state (iPEPS).
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Materials Science
First-Principles Study of the Temperature Dependence of Structural, Electronic, and Hyperfine Properties of the Cu(100) Surface
Germán N. Darriba, R. Faccio and Mario Rentería
In this work, we investigate the temperature-dependent behavior of the pure (undoped) Cu(100) surface using first-principles calculations within the Density Functional Theory framework. One of the main objectives is to determine, as a first step, whether the unexpected linear dependence of the electric-field gradient (EFG) tensor observed in TDPAC experiments on $^{111}$Cd probes deposited on Cu(100) surfaces could arise from the surface generation itself or from surface reconstruction. To this end, we perform a comprehensive $\it{ab}$ $\it{initio}$ study of the Cu(100) surface reconstruction and its associated structural, electronic, and hyperfine properties as a function of temperature, not only at the outermost atomic layer (i.e., the topmost Cu atom) but also as a function of atomic depth relative to the surface. To study the temperature dependence of the EFG, we use experimentally determined temperature-dependent
lattice parameters for bulk copper in our calculations. The anisotropic relaxation that arises when bulk
symmetry is broken helps unravel the potential sources of EFG temperature dependence at the surface. Studying the electron density of conduction electrons $\rho$($\bf{r}$) at the atomic scale near the Cu
nucleus and the atom-resolved partial density of states at the topmost Cu atom allows us to correlate the surface effect on the EFG with respect to the bulk value. Finally, we discuss the linear temperature dependence found for the EFG on the undoped Cu(100) surface in relation to the temperature dependence of the "
lattice" contribution to the EFG in the framework of the universal correlation found by Raghavan $\it{et}$ $\it{al.}$ [PRL 34, 1280 (1975)] for noncubic metals, showing that the linear decrease of the EFG as T increases in the $^{111}$Cd-doped Cu(100) surface is probably mostly caused by the generation of the pure Cu(100) surface and its reconstruction.
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Soft Condensed Matter
Dynamical geometric modes in non-Euclidean plates
Joseph C. Roback, Carlos E. Moguel-Lehmer, Katharina A. Fransen et al. (+2 more)
When subjected to specific prestresses, continuum elastic shells can exhibit
geometric zero modes: complex motions that require vanishing elastic energy to excite, enabling them to be driven by weak and generic energy inputs. Despite recent interest in these modes, we understand very little about their dynamical properties. Non-Euclidean plates modeled on minimal surfaces are one example in which prestresses and geometry combine to produce a continuum of ground states that the plate can explore through a
geometric zero mode. We demonstrate that a non-Euclidean plate with metric corresponding to Enneper's minimal surface exhibits the predicted continuous stability, but this degeneracy is ultimately lifted by aging. Despite developing a preferred configuration, the zero mode remains the softest mode. Using a combination of analytical theory and experiments, we show that the elastodynamics of this soft mode is captured by the dynamics of a damped pendulum. A periodic driving uncovers resonance phenomena in this pendulum mode, such as small oscillations and steady rotations, but mixes with an additional flapping mode at high frequencies.
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All authors Joseph C. Roback, Carlos E. Moguel-Lehmer, Katharina A. Fransen, Christian D. Santangelo, Ryan C. Hayward
Strongly Correlated Electrons
Microscopic resonant-shell mechanism for slow Liouvillian sectors in an open correlated lattice
X. Z. Zhang
We develop a microscopic theory for how slow Liouvillian sectors are selected in an open correlated
lattice. The starting point is not a postulated non-Hermitian band, but a local interacting resonance between an on-site doublon and a branch-resolved nearest-neighbor bond. This resonance defines a composite shell orbital whose doublon weight controls reservoir visibility and whose mixed doublon-bond character controls shell mobility. Projecting the microscopic hopping onto the selected shell yields a branch-selective dimerized channel. In the dilute regime, a boundary doublon-loss channel yields an exponentially slow edge-
memory pole through a Zeno-type return. At the shell-critical point, the edge pole is replaced by a near-zero standing-wave doublet with an algebraic coherent spacing. At finite shell filling, the same local shell becomes density dressed. A number-conserving phase-locking jump removes a bright mismatch sector, leaving defects as the asymptotic slow variables and producing a diffusive finite-size gap. We derive the local shell, the projected branch
topology, the edge-
memory law, the shell-critical doublet, the density-dressed shell
Hamiltonian, and the defect generator within one Schur-projection framework. The resulting mechanism identifies the reservoir-engineered fast block as the selector of the observable slow sector, while the microscopic parent shell remains fixed.
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Materials Science
Universal 3:1 Scaling of Quantum-Confined Stark Spectra Revealed by a Three-Dimensional Profile
Sha Han, Kebei Chen, Runnan Zhang et al. (+3 more)
We report that the
quantum-confined Stark effect spectrum exhibits a nearly rigid
redshift while preserving its characteristic peak spacing patterns when increasing the electric field strength F. Using InGaN as a model system, we uncover two electric-field-independent scaling laws for the spectral peaks in both the sub-bandgap and above-bandgap regions and the coefficient ratio is near 3:1. With a novel three-dimensional (3D) visualization, we reveal that the sub-bandgap peak spacings scale as $\frac{12\pi\hbar^2}{L^2\sqrt{m_em_h}}$ while the above-bandgap peak spacings scale as $\frac{4\pi\hbar^2}{L^2\sqrt{m_em_h}}$, explaining the origin of the 3:1 ratio. This scaling behavior, validated in both InGaN and GaAs systems and at electroluminescence working conditions, shows that increasing F only expands the energy range and increases the number of peaks without altering the spacing. Beyond these laws, the 3D profile offers new insights into the Tauc background, Franz-Keldysh oscillations and coherence length, providing a powerful tool for the design and diagnostics of electro-optic devices.
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All authors Sha Han, Kebei Chen, Runnan Zhang, Juemin Yi, Wentao Song, Ke Xu
Statistical Mechanics · Cross-listed from q-bio.PE
Dual Fear Mechanisms Shaping Stochastic Population Dynamics under the Allee Effect
Özgür Gültekin and Mirza Muradli
Traditional population models that include predator-prey interactions attribute demographic changes directly to predation-related effects. However, predator-induced fear in prey has increasingly been recognised as an important factor shaping population dynamics. In this study, we propose a cubic population model in which fear acts through two distinct functional channels for a single-species population exhibiting the Allee effect. In this model, fear reduces the intrinsic growth rate through a multiplicative suppression mechanism while also playing an integrated role in modulating the growth and interaction dynamics by rescaling the saturation structure of the Holling type III interaction term. The
stochastic extension of the model is described by a Langevin formalism containing correlated additive and multiplicative Gaussian noise, and the steady state probability distribution (SSPD) is analytically obtained using the corresponding Fokker-Planck equation. The analytical solution is validated by numerical simulations. The SSPD reveals both noise-induced transitions and fear-controlled regime changes between low- and high-density states, with the two-channel effect of fear producing structural competition and non-monotonic changes in the distribution. These are analysed through phenomenological bifurcation (P-bifurcation) diagrams and three-dimensional distribution surfaces. Additionally, statistical properties, parameter sensitivity, and escape dynamics are investigated through normalised moments, Fisher information, and mean first-passage time (MFPT) calculations. Notably, our model treats fear as an independent control parameter and provides a natural explanation for several conflicting empirical findings in the literature on fear-mediated population dynamics, while also offering an analytical basis for conservation biology and ecosystem management.
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Strongly Correlated Electrons
Bound-State Spectra of a Lifshitz-Type Dirac Equation in (2+1) Dimensions
Lucas K. R. Queiroz, Van Sérgio Alves, Nilberto Bezerra et al. (+2 more)
We investigate a Dirac-type equation in $(2+1)$ dimensions modified by Lifshitz spatial derivatives with dynamical exponent $z=2$, focusing on the spectral properties of bound-states under radial confinement. Analytical solutions are obtained for constant backgrounds, hard-wall confinement, and harmonic potentials, while logarithmic confinement is treated numerically via the Numerov method and complemented by a semiclassical WKB analysis. The resulting spectra exhibit characteristic scaling laws governed by the Lifshitz parameter $b$, including $E - M \propto b/R_0^2$ for hard-wall confinement, $E - M \propto \sqrt{2b}\,\omega$ for harmonic trapping, and $E - M \sim \alpha \ln\sqrt{b}$ in the semiclassical regime of logarithmic confinement, where $M$ is a mass scale. These results provide a consistent characterization of how higher-order spatial derivatives modify the energy spectra in two-dimensional Dirac systems and may be relevant for effective descriptions of materials with quadratic low-energy dispersion, such as
bilayer graphene and related anisotropic 2D systems.
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All authors Lucas K. R. Queiroz, Van Sérgio Alves, Nilberto Bezerra, Luis Fernández, Francisco Peña
Quantum Gases
Benchmarking a restricted Boltzmann machine on the $\mathbb{Z}_2$ Bose-Hubbard chain in the adiabatic hard-core regime
Gustavo Alejandro Avalos Valentín, Roman Josué Armenta Rico and Isaac Pérez Castillo
We study the ground state of the $\mathbb{Z}_2$ Bose-Hubbard chain in the adiabatic hard-core limit at half filling using variational Monte Carlo with a shallow restricted Boltzmann machine as the variational ansatz. In this context, the neural
quantum state is compared with the established adiabatic description of the model. The variational results reproduce the overall structure of the phase diagram obtained from magnetization observables, distinguish the polarized and Néel-ordered regions, and capture representative
spin patterns and site occupations for the staggered insulating configurations selected by a weak
symmetry-breaking field. Taken together, these results show that a shallow restricted Boltzmann machine reproduces the main adiabatic phase structure of the one-dimensional $\mathbb{Z}_2$ Bose-Hubbard chain and captures the selected
symmetry-broken insulating configurations at half filling.
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Mesoscale and Nanoscale Physics
Spin Elasticity:A New Paradigm for Spintronics
Zhong-Chen Gao, Tianyi Zhang, Feifei Wang et al. (+3 more)
Elasticity shapes our world. For centuries, it has been regarded as a property exclusive to ordinary matter. Here we uncover its hidden existence in the
spin degree of freedom. We introduce
spin elasticity-a framework linking
spin torque to
spin morpgology. This reveals a topological Hooke's law, uncovers spontaneous oscillations and resonance, and predicts a new class of collective excitations:
spin stress waves. By establishing a unfied tau-D theory bridging classical elasticity and topological
spin physics, this work completes the elastic picture and opens a new frontier for spintronics-spinelastronics.
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All authors Zhong-Chen Gao, Tianyi Zhang, Feifei Wang, Jingguo Hu, Peng Yand, Xiufeng Han