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Physics Condensed Matter

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Monday 22 December

Materials Science

Enhanced sinterability and in vitro bioactivity of diopside through fluoride doping

In this work, diopside (CaMgSi2O6) was doped with fluoride at a level of 1 mol.%, without the formation of any second phase, by a wet chemical precipitation method. The sintered structure of the synthesized nanopowders was studied by X-ray diffraction, Fourier transform infrared spectroscopy and field-emission scanning electron microscopy. Also, the samples' in vitro apatite-forming ability in a simulated body fluid was comparatively evaluated by electron microscopy, inductively coupled plasma spectroscopy and Fourier transform infrared spectroscopy. According to the results, the material's sinterability was improved by fluoride doping, as realized from the further development of sintering necks. It was also found that compared to the undoped bioceramic, a higher amount of apatite was deposited on the surface of the doped sample. It is concluded that fluoride can be considered as a doping agent in magnesium-containing silicates to improve biological, particularly bioactivity, behaviors.
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Materials Science

Stoichiometry-Controlled Structural Order and Tunable Antiferromagnetism in $\mathrm{Fe}_{x}\mathrm{NbSe_2}$ ($0.05 \le x \le 0.38$)

Transition metal dichalcogenides (TMDs) enable magnetic property engineering via intercalation, but stoichiometry-structure-magnetism correlations remain poorly defined for Fe-intercalated $\mathrm{NbSe_2}$. Here, we report a systematic study of $\mathrm{Fe}_{x}\mathrm{NbSe_2}$ across an extended composition range $0.05 \le x \le 0.38$, synthesized via chemical vapor transport and verified by rigorous energy-dispersive x-ray spectroscopy (EDS) microanalysis. X-ray diffraction, magnetic, and transport measurements reveal an intrinsic correlation between Fe content, structural ordering, and magnetic ground states. With increasing $x$, the system undergoes a successive transition from paramagnetism to a spin-glass state, then to long-range antiferromagnetism (AFM), and ultimately to a reentrant spin-glass phase, with the transition temperatures exhibiting a nonmonotonic dependence on Fe content. The maximum Néel temperature ($T_{\mathrm{N}}$ = $\mathrm{175K}$) and strongest AFM coupling occur at $x=0.25$, where Fe atoms form a well-ordered $2a_0 \times 2a_0 $ superlattice within van der Waals gaps. Beyond $x = 0.25$, the superlattice transforms or disorders, weakening Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions and significantly reducing $T_{\mathrm{N}}$. Electrical transport exhibits distinct anomalies at magnetic transition temperatures, corroborating the magnetic state evolution. Our work extends the compositional boundary of Fe-intercalated $\mathrm{NbSe_2}$, establishes precise stoichiometry-structure-magnetism correlations, and identifies structural ordering as a key tuning parameter for AFM. These findings provide a quantitative framework for engineering altermagnetic or switchable antiferromagnetic states in van der Waals materials.
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All authors Xiaotong Xu, Bei Jiang, Runze Wang, Zhibin Qiu, Shu Guo, Baiqing Lv, Ruidan Zhong

Mesoscale and Nanoscale Physics · Cross-listed from physics.optics

Near-field-driven Radiative Thermal Dynamics in Aperiodic Nanostructures

Harnessing structural correlations in near-field plasmonic and polaritonic systems hold untapped potential for controlling light-matter interactions at the nanoscale. By tuning these correlations, one can reshape mode localization, coupling, and spectral distribution which are properties central to manipulating energy transport and field enhancement in nanophotonic platforms. We exploit Vogel spirals, an aperiodic geometry where a single parameter dictates spatial correlations, to show how correlation strength reshapes the modal spectrum and transient dynamics of near-field coupling. As a proof of concept, we demonstrate that aperiodic configurations outperform both uncorrelated (random) and periodic arrays in controlling near-field radiative heat-transfer dynamics. These results establish deterministic aperiodic order as a powerful platform for tailoring correlated electromagnetic responses in next-generation nanophotonic devices.
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All authors M. Prado, A. Manjavacas, F. A. Pinheiro, W. J. M. Kort-Kamp

Statistical Mechanics

Entropic trade-off relations in stochastic thermodynamics via replica Markov processes

Traditional thermodynamic trade-off relations usually apply to quantities that depend linearly on probability distributions. In contrast, many important information-theoretic measures, such as entropies, are nonlinear and therefore difficult to analyze with existing frameworks. Motivated by replica methods in quantum information and spin-glass theory, we introduce replica Markov processes, i.e., Markovian dynamics of $K$ independent, identical copies, and derive trade-off relations that bound relative moments of replica observables in terms of the dynamical activity. By choosing appropriate replica observables, these inequalities translate into bounds on nonlinear quantities of the original single process. Focusing on entropic measures of uncertainty, we obtain upper bounds on both the time derivative and the value of the Tsallis entropy for general trajectory-observable distributions. Moreover, we derive upper bounds on the Rényi and Tsallis entropies, where the bounds involve the initial dynamical activity. Analogous bounds can be derived for the entropies of the state distribution. In particular, we provide upper bounds on both the time derivative and the value of the Tsallis entropy of state distributions. Moreover, we show that the Rényi and Tsallis entropies of the state distribution are bounded from above by terms involving the local escape rate from the initial node. We also illustrate how replicas can be used to study other nonlinear functionals such as extreme-value observables. Finally, we extend the construction to continuously monitored open quantum systems, where the bounds are expressed in terms of the quantum dynamical activity. These results provide entropic counterparts to activity-based uncertainty relations and establish a general method for constraining nonlinear information-theoretic quantities in stochastic and quantum thermodynamics.
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Superconductivity

Superconductivity in multi-Weyl semimetals: Conditions for the coexistence of topological and conventional phases

In this work, we explore the possible emergence of superconducting phases in a multi-Weyl semimetal. In particular, we show that the presence of a pair of Weyl nodes with chirality $|\nu| \ge 1$ leads to an effective description of the intra-nodal pairings in terms of monopole harmonics, in contrast to inter-nodal pairings that preserve the angular dependence of conventional spherical harmonics. Therefore, we explore the conditions for the competition and/or coexistence between both types of superconducting phases, and we identify the presence of the so-called "topological repulsion" mechanism, which was previously reported in the context of simple Weyl semimetals. We identified the critical temperatures corresponding to the monopole and conventional superconducting phases, and calculated the specific heat as a function of temperature, thus showing that this thermodynamical parameter may provide an experimental probe to determine the chirality index $\nu$ in the material.
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Superconductivity

Direct Fabrication of a Superconducting Two-Dimensional Electron Gas on KTaO3(111) via Mg-Induced Surface Reduction

Two-dimensional electron gases (2DEGs) at the surfaces of KTaO3 have become an exciting platform for exploring strong spin-orbit coupling, Rashba physics, and low-carrier-density superconductivity. Yet, a large fraction of reported KTaO3-based 2DEGs has been realized through chemically complex overlayers that both generate carriers and can obscure the native electronic structure, making spectroscopic access to the underlying 2DEG challenging. Here, we demonstrate a simple and direct method to generate a superconducting 2DEG on KTaO3(111) using Mg-induced surface reduction in molecular-beam epitaxy (MBE). Mg has an extremely low sticking coefficient at elevated temperatures, enabling the formation of an ultrathin (less than 1-2 monolayers) MgO layer that is transparent to soft x-ray photoemission spectroscopy (XPS) and angle-resolved photoemission spectroscopy (ARPES). This allows direct measurement of the surface chemistry and low-energy electronic structure of the pristine reduced surface without the need for a several-nanometer-thick capping layer. XPS shows clear reduction of Ta5+ to lower oxidation states, while ARPES reveals a parabolic Ta 5d conduction band with an approximately 150 meV bandwidth and additional subband features arising from quantum confinement. Transport measurements confirm a superconducting transition below 0.7 K. Together, these results demonstrate a chemically straightforward and controllable pathway for fabricating spectroscopically accessible superconducting 2DEGs on KTaO3(111), and provide a powerful new platform for investigating the mechanisms underlying orientation-dependent superconductivity in KTaO3-based oxide interfaces.
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All authors Chun Sum Brian Pang, Bruce A. Davidson, Fengmiao Li, Mohamed Oudah, Peter C. Moen, Steef Smit, Cissy T. Suen, Simon Godin, Sergey A. Gorovikov, Marta Zonno, Pinder Dosanjh, Sergey Zhdanovich, Giorgio Levy, Matteo Michiardi, Alannah M. Hallas, George A. Sawatzky, Robert J. Green, Andrea Damascelli, Ke Zou

Mesoscale and Nanoscale Physics

Migration of gold atoms into a thiol-bonded molecular self-assembled monolayer, forming a cluster exhibiting a Coulomb staircase

Thiol-based self-assembled monolayers (SAMs) on gold surfaces are one of the fundamental building blocks of molecular electronics. The strong chemical affinity of the gold and sulfur (Au-S) enables the formation of close-packed SAMs, but it also has recently been found to create a dynamic interface where surface reconstruction can occur under illumination, even with ambient light. This reconstruction may facilitate migration of gold atoms, potentially leading to in-situ formation of gold clusters. However, research on this mechanism often centers on Au(111) crystalline surfaces and flicker-noise measurements. Electron transport in ensembles of molecules in lithographically defined junctions has remained largely unexplored at cryogenic temperatures. In this study, we observe single-electron phenomena characterized by reproducible Coulomb staircases across various long-chain alkanethiol SAMs, which fit the Coulomb-blockade theory of nm-sized metallic nanoparticles. We find no such current steps in samples with amine, rather than thiol, anchors. Additionally, we find that by adding a bipyridyl functional group, these phenomena can be harnessed for memristive switching and negative differential resistance. These findings indicate that the generally observed lack of reliability and reproducibility of molecular devices may be alleviated by using amine anchors instead of thiols to avoid nanoparticle effects. Conversely, the spontaneous formation of the nanoparticles could potentially be controlled and used to achieve useful functionalities, offering new pathways for designing multifunctional nanoelectronic components.
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All authors Bingxin Li, Shanglong Ning, Chunyang Miao, Chenyang Guo, Gyu Don Kong, Xintai Wang, Victor I. Coldea, Yuqiao Li, Sam Harley, Oleg V. Kolosov, James Newson, Sam P. Jarvis, Ben J. Robinson, Mohammed Alzanbaqi, Ali Ismael, Colin J. Lambert, Hyo Jae Yoon, Jeremy J. Baumberg, Christopher J. B. Ford

Sunday 21 December

Materials Science · Cross-listed from physics.comp-ph

Additive general integral equations in thermoelastic micromechanics of composites

This work presents an enhanced Computational Analytical Micromechanics (CAM) framework for the analysis of linear thermoelastic composite materials (CMs) with random microstructure. The proposed approach is grounded in an exact Additive General Integral Equation (AGIE), specifically formulated for compactly supported loading, including both body forces and localized thermal changes (such as those from laser heating). New general integral equations (GIEs) for arbitrary mechanical and thermal loading are proposed. A unified iterative solution strategy is developed for the static AGIE, applicable to CMs with both perfectly and imperfectly bonded interfaces, where the compact support of loading is introduced as a new fundamental training parameter. Central to this methodology is a generalized Representative Volume Element (RVE) concept, which extends Hill classical definition. The resulting RVE is not predefined geometrically, but rather emerges from the characteristic scale of the localized loading, effectively reducing the analysis of an infinite, randomly heterogeneous medium to a finite, data-driven domain. This generalized RVE approach enables automatic exclusion of unrepresentative subsets of effective parameters, while inherently eliminating boundary effects, edge artifacts, and finite size limitations. Moreover, the AGIE-based CAM framework is naturally compatible with machine learning (ML) and neural network (NN) architectures, facilitating the construction of accurate and physically informed surrogate nonlocal operators.
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Materials Science · Cross-listed from physics.comp-ph

New RVE concept in thermoelasticity of periodic composites subjected to compact support loading

This paper introduces an advanced Computational Analytical Micromechanics (CAM) framework for linear thermoelastic composites (CMs) with periodic microstructures. The approach is based on an exact new Additive General Integral Equation (AGIE), formulated for compactly supported loading conditions, such as body forces and localized thermal effects (for example laser heating). In addition, new general integral equations (GIEs) are established for arbitrary mechanical and thermal loading. A unified iterative scheme is developed for solving the static AGIEs, where the compact support of loading serves as a new fundamental training parameter. At the core of the methodology lies a generalized Representative Volume Element (RVE) concept that extends Hill classical definition of the RVE. Unlike conventional RVEs, this generalized RVE is not fixed geometrically but emerges naturally from the characteristic scale of localized loading, thereby reducing the analysis of an infinite periodic medium to a finite, data-driven domain. This formulation automatically filters out nonrepresentative subsets of effective parameters while eliminating boundary effects, edge artifacts, and finite-size sample dependencies. Furthermore, the AGIE-based CAM framework integrates seamlessly with machine learning (ML) and neural network (NN) architectures, supporting the development of accurate, physics-informed surrogate nonlocal operators.
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Materials Science · Cross-listed from physics.app-ph

Carbogels for sustainable and scalable thermoelectric applications

Thermoelectric generators (TEGs) based on commercially used thermal super-insulating materials can facilitate sustainable and large-scale ambient waste heat recovery while bequeathing an added economic and environmental value to thermal insulations in industry. This requires the optimization of the thermoelectric (TE) properties through electrical functionalization of such materials. Moreover, the associated engineering challenges of assembling TEG modules must be overcome. Herein, we propose using super-insulating Resorcinol-formaldehyde (RF) carbogels for scalable and sustainable TE applications through their electrical functionalization. Using a combination of a pyrolysis process and carbon fibers insertion, we achieved an increment by 12 orders of magnitude in electrical conductivity as well as ZT whilst retaining their intrinsic ultralow thermal conductivity (<50 mW/mK). A TE module in the form of a thermoelectric vacuum insulation panel (TVIP), was then fabricated using only a p-type material, to demonstrate a proof-of-concept self-powered WiFi-based vacuum-failure detection application in confined spaces in automobiles or aeronautics. Finally, by extrapolating the optimized output power and with a CAD-assisted assembly of a large TEG module (1000 cm2), the potential of scalable low-grade waste heat recovery is discussed.
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All authors Shoeb Athar, Jeremy Guazzagaloppa, Fabrice Boyrie, Cedric Huillet, Philippe Jund

Statistical Mechanics

Nonreciprocal Blume-Capel Model with Antisymmetric Single-Ion Anisotropies

We investigate the interplay between nonreciprocal interactions and chemical-potential imbalance in a two-species nonreciprocal Blume-Capel model. Combining a systematic mean-field bifurcation analysis with large-scale Monte Carlo simulations in two and three dimensions, we map the model's dynamical regimes and transitions. Mean-field theory predicts a rich phase structure – disorder, a time-dependent 'swap' (limit-cycle) phase, and static ordered states – separated by Hopf, saddle-node on invariant circle, saddle-node of limit cycles, pitchfork and saddle-node bifurcations. In two dimensions, Monte Carlo simulations reveal that spiral defects destabilise global swapping and, unless vacancies are strongly favoured, destroy long-range order. Crucially, a finite single-ion anisotropy $\Delta_\alpha = - \Delta_\beta$ promotes vacancy occupation in the $\alpha$ species and suppresses nonreciprocal dynamics, thereby restoring a robust static ordered phase. Finite-size scaling of susceptibility and Binder cumulants places the disorder to static transition firmly in the 2D Ising universality class. Moreover, within the static ordered phase, we observe a crossover that sharpens into a line of first-order phase transitions; these two regimes are separated by a critical point, analogous to the termination of the liquid-gas coexistence curve. In three dimensions, simulations largely mirror mean-field expectations, though swap to static ordering occurs indirectly via a disordered regime. Our results demonstrate that vacancy energetics provide a simple, experimentally relevant control knob that stabilises equilibrium-like order in nonreciprocal systems and that defects can generate novel critical behaviour.
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Soft Condensed Matter

Effect of the repulsion between twin granular impactors on crater's aspect ratio: preliminary findings

We study the role of repulsive granular interactions between identical intruders as they impact a granular bed. We demonstrate experimentally that repulsion does have a measurable effect in the aspect ratio of binary craters. Furthermore, we show that the protocol followed for the preparation of the granular bed plays a crucial role in the output of table-top experiments on doublet craters.
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All authors P. Altshuler, R. Pupo-Santos, A. Rivera, E. Altshuler

Materials Science

Field-Selective Adsorption of Saccharin on Nickel: Mechanistic DFT Insights into Solvation, Protonation, and Coating Morphology

The molecular mechanisms by which organic additives such as saccharin control microstructure in nickel electrodeposition remain inadequately understood, particularly the role of the intense interfacial electric field. This study employs density functional theory (DFT) calculations to elucidate the field dependent adsorption behavior of neutral saccharin and its deprotonated anion (saccharinate) on nickel. By employing the B3LYP functional and implicit solvent models, the field dependent adsorption energetics, frontier orbitals and electrostatic potentials are calculated on a nickel surface. Key findings reveal that while saccharinate dominates in bulk plating baths, its strong solvation shell impedes surface adsorption. In contrast, neutral saccharin exhibits energetically favorable adsorption via sulfonyl oxygen or aromatic $\pi$-face interactions, with specific orientations further stabilized by the interfacial field.This selective adsorption at growth sites rationalizes saccharin's role in inhibiting rapid crystallization, promoting grain refinement, and producing bright, level deposits.The results directly link field-modulated molecular stereochemistry to macroscopic coating properties, providing a mechanistic foundation for the rational design of electroplating additives beyond empirical approaches.
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Soft Condensed Matter

Diversity of critical phenomena in the ordered phase of polar active fluids

We present a comprehensive analytical linear stability analysis of the Toner-Tu model for polar active fluids in the ordered phase. Our results provide exact instability criteria and demonstrate that all generic hydrodynamic instabilities fall into two fundamental categories, distinguished by their scaling with the wavevector magnitude. By applying a general criticality condition, we show that each instability can give rise to a critical point by fine-tuning only two parameters. We identify four previously unreported critical points of the Toner-Tu model, two of which already display nonequilibrium critical behavior that extends beyond known universality classes at the linear level. We further construct explicit hydrodynamic models that realize each newly identified critical point, establishing their physical attainability and providing concrete targets for future renormalization-group analyses and microscopic model studies. Altogether, our framework offers a unified theoretical foundation and a practical roadmap for the systematic discovery of new universality classes in active matter.
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Strongly Correlated Electrons

Dynamical Spectral Function of the Kagome Quantum Spin Liquid

Quantum spin liquids (QSLs) host exotic fractionalized magnetic and gauge-field excitations whose microscopic origins and experimental verification remain frustratingly elusive. In the absence of static magnetic order, the spin excitation spectrum constitutes the crucial probe of QSL behavior, but its theoretical computation is a serious challenge. Here we employ state-of-the-art tensor-network methods to obtain the full dynamical spectral function of the $J_1$-$J_2$ kagome Heisenberg model and benchmark our results by tracking their evolution across the magnetically ordered and QSL phases. Reducing $|J_2|/J_1$ causes increasingly strong spin-wave renormalization, flattening these modes then merging them into a continuum characteristic of deconfined spinons at all finite energies in the QSL. The low-energy continuum and the occurrence of gap closure at multiple high-symmetry points identify this gapless QSL as the U(1) Dirac spin liquid. These results establish a unified understanding of spin excitations in highly frustrated quantum magnets and provide clear spectral fingerprints for experimental detection in candidate kagome QSL materials.
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All authors Jiahang Hu, Runze Chi, Yibin Guo, B. Normand, Hai-Jun Liao, T. Xiang

Superconductivity

High Critical Temperature and Field Superconductivity in Nb$_{0.85}$X$_{0.15}$, (X = Ti, Zr, Hf) Alloys: Promising Candidates for Superconducting Devices

Niobium and its alloys with early transition metals have been extensively studied for their excellent superconducting properties. They have high transition temperatures, strong upper critical fields, and high critical current densities, making them ideal for superconducting applications such as SQUIDs, MRI, NMR, particle accelerators, and Qubits. Here we report a systematic investigation of as-cast Nb-rich alloys, Nb$_{0.85}$X$_{0.15}$ (X = Ti, Zr, Hf), using magnetization, electrical transport, and specific heat measurements. They exhibit strong type-II bulk superconductivity with moderate superconducting transition temperatures and upper critical fields. The estimated magnetic field-dependent critical current density lies in the range of 10$^5$–10$^6$~A/cm$^2$ across various temperatures, while the corresponding flux-pinning force density is on the order of GNm$^{-3}$, suggesting the potential of these materials for practical applications. Electronic-specific heat data reveal a strongly coupled, single, isotropic, nodeless superconducting gap. These Nb-rich alloys, characterized by robust superconducting properties, hold significant potential for applications in superconducting device technologies.
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All authors R. K. Kushwaha, S. Jangid, P. Mishra, S. Sharma, R. P. Singh

Disordered Systems and Neural Networks · Cross-listed from quant-ph

Noisy Monitored Quantum Circuits

Noisy monitored quantum circuits have emerged as a versatile and unifying framework connecting quantum many-body physics, quantum information, and quantum computation. In this review, we provide a comprehensive overview of recent advances in understanding the dynamics of such circuits, with an emphasis on their entanglement structure, information-protection capabilities, and noise-induced phase transitions. A central theme is the mapping to classical statistical models, which reveals how quantum noise reshapes dominant spin configurations. This framework elucidates universal scaling behaviors, including the characteristic $q^{-1/3}$ entanglement scaling with noise probability $q$ and distinct timescales for information protection. We further highlight a broad range of constructions and applications inspired by noisy monitored circuits, spanning variational quantum algorithms, classical simulation methods, mixed-state phases of matter, and emerging approaches to quantum error mitigation and quantum error correction. These developments collectively establish noisy monitored circuits as a powerful platform for probing and controlling quantum dynamics in realistic, decohering environments.
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Strongly Correlated Electrons

A Systematic Convergent Sequence of Approximations (of Integral Equation Form) to the Solutions of the Hedin Equations

In many ways the solution to the Hedin equations represents an exact solution to the many body problem. However, for most systems of practical interest, the solution to the Hedin equations is rendered nearly numerically intractable because the Hedin equations are of functional derivative form. Integral equations, on the other hand, are much more numerically tractable, than functional derivative equations, as they can often be solved iteratively. In this work we present a systematic set of integral equations (with no functional derivatives) - Hedin approximations I, II, III, IV etc. - whose solutions converge to the solutions of the exact Hedin equations. The Hedin approximations are well suited to iterative numerical solutions (which we also describe). Furthermore Hedin approximation I is just the GW approximation (as such this work may be viewed as a systematic improvement of the GW approximation). We present a systematic study of the Hedin equations for zero dimensional field theory (which, in particular, is a method to enumerate Feynman diagrams for field theories in arbitrary dimensions) and show better and better convergence to the solutions of the Hedin equations for higher and higher Hedin approximations, with Hedin approximations I, II and III being explicitly studied. We, in particular, show that the higher Hedin approximations capture more and and more Feynman diagrams for the self energy. We also show that already Hedin approximation II captures more diagrams than the state of the art diagrammatic vertex corrections approach. Furthermore Hedin approximation III is a near perfect match to the exact solutions of the Hedin equations, at least in the zero dimensional case, and enumerates a large number of Feynman diagrams.
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Strongly Correlated Electrons · Cross-listed from hep-th

Entanglement Dynamics by (Non-)Unitary Local Operator Quenches in a 2D Holographic CFT

In this paper, we investigate the time evolution of entanglement entropy and mutual information for the spatially-infinite systems where we act with a primary operator on the vacuum state and then time-evolve it with the sequence of the Euclidean and Lorentzian time evolutions. Two-dimensional holographic conformal field theories describe the systems under consideration in this paper. The Euclidean time evolution is induced by the Rindler Hamiltonian and behaves as the regulator that tames the divergence induced by the local operator, while the Lorentzian one is induced by the uniform Hamiltonian. Under these time evolutions, we investigate the time ordering effect of the Rindler Euclidean and uniform Lorentzian time evolution operators. Consequently, we find the remarkable differences between those time evolutions are induced by whether those are unitary or non-unitary. Especially, we find that the unitary time evolution induces the late-time logarithmic growth of the entanglement entropy, while the non-unitary time evolution induces the late-time constant behavior. Furthermore, we investigate the dual gravity of the systems under consideration. Especially, we investigate the gravity duals of the systems with the insertion of the heavy primary operator and show that it is a black brane with a spacetime-dependent horizon.
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All authors Weibo Mao, Akihiro Miyata, Masahiro Nozaki, Farzad Omidi

Soft Condensed Matter

Peeling-Induced Rolling and Heterogeneous Adhesion in Blistered Films

Blisters, delaminated regions that form in multilayered structures under compressive stresses, are observed across a wide range of length scales, from two-dimensional materials to protective coatings and laminated composites. Far from being passive defects, such interfacial features have emerged as functional motifs for three-dimensional architectures and reconfigurable surfaces. Here we reveal an unusual peel response of a blistered thin film on a soft substrate. When peeled from one end, the advancing peel front triggers reattachment at the blister edge once a critical separation is reached, initiating spontaneous rolling of the film on the substrate. This peel-to-roll transition produces a sharp drop in the measured adhesion force, which then remains constant throughout the rolling phase. Using experiments, scaling analysis, and molecular dynamics simulations, we resolve the contact morphology at the transition and identify the contact length at which rolling initiates. We show that this length arises from interactions between the two contact edges and is independent of the work of adhesion. Once rolling begins, a dynamically imposed dwell time - defined by the rolling length and peel speed - translates contact history into spatial variations in adhesion force, thereby governing the magnitude of the force drop. Together, these results point to a new pathway for generating spatially tunable, heterogeneous adhesion from otherwise homogeneous interfaces.
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All authors Amit Kumar Pandey, Pei Ren-Sawyer, Sunghwan Jung, Teng Zhang, Anupam Pandey

Materials Science

Topological surface phonons modulate thermal transport in semiconductor thin films

While phonon topology in crystalline solids has been extensively studied, its influence on thermal transport-especially in nanostructures-remains elusive. Here, by combining first-principles-based machine learning potentials with the phonon Boltzmann transport equation and molecular dynamics simulations, we systematically investigate the role of topological surface phonons in the in-plane thermal transport of semiconductor thin films (Si, 4H -SiC, and c-BN). These topological surface phonons, originating from nontrivial acoustic phonon nodal lines, not only serve as key scattering channels for dominant acoustic phonons but also contribute substantially to the overall thermal conductivity. Remarkably, for these thin semiconductor films below 10 nm this contribution can be as large as over 30% of the in-plane thermal conductivity at 300 K, and the largest absolute contribution can reach 82 W/m-K, highlighting their significant role in nanoscale thermal transport in semiconductors. Furthermore, we demonstrate that both temperature and biaxial strain provide effective means to modulate this contribution. Our work establishes a direct link between topological surface phonons and nanoscale thermal transport, offering the first quantitative assessment of their role and paving the way for topology-enabled thermal management in semiconductors.
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All authors Zhe Su, Shuoran Song, Qi Wang, Jian-Hua Jiang

Statistical Mechanics

Collective behavior in the nonreciprocal multi-species Vicsek model

We investigate collective behavior in a $Q$-species Vicsek model with a nonreciprocal velocity alignment interaction. This system is characterized by a constant phase shift $\alpha$ in the inter-species velocity alignment rule. While the phase shift renders the interaction nonreciprocal, the system is globally invariant under any permutations of particle species, possessing Potts symmetry. The combination of Potts symmetry and nonreciprocity gives rise to a rich phase diagram. The nonreciprocal phase shift generates either counter-clockwise or clockwise chirality. Potts symmetry can be broken spontaneously. Consequently, the system exhibits four distinct phases: A species-mixed chiral phase where particles perform counter-clockwise chiral motion with quasi-long-range order, a species separation phase where Potts symmetry is broken and species-separated particles form vortex cells with clockwise chirality, a coexistence phase, and a disordered phase, for $0<\alpha<\pi$. We derive a Boltzmann equation and a hydrodynamic equation describing the system in the continuum limit, and present analytic arguments for the emergence of chirality and species separation.
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Materials Science

Real-time time-dependent density functional theory simulations with range-separated hybrid functionals for periodic systems

Real-time time-dependent density functional theory (RT-TDDFT) is a powerful approach for investigating various ultrafast phenomena in materials. However, most existing RT-TDDFT studies rely on adiabatic local or semi-local approximations, which suffer from several shortcomings, including the inability to accurately capture excitonic effects in periodic systems. Combining RT-TDDFT with range-separated hybrid (RSH) functionals has emerged as an effective strategy to overcome these limitations. The RT-TDDFT-RSH implementation for periodic systems requires careful treatment of the Coulomb singularity and choosing proper gauges for the incorporation of external fields. We benchmark two schemes for treating the Coulomb singularity - the truncated Coulomb potential and the auxiliary-function correction - and find that the latter shows better convergence behavior and numerical stability for long-range corrected hybrid functions. Additionally, we assess the impact of gauge choice in simulations using numerical atomic orbitals and show that the recently proposed hybrid gauge incorporating position-dependent phases provides a more accurate description of excitonic absorption than the conventional velocity gauge. Our implementation significantly improves the accuracy of RT-TDDFT-RSH for modeling ultrafast excitonic dynamics in periodic systems.
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All authors Yuyang Ji, Haotian Zhao, Peize Lin, Xinguo Ren, Lixin He

Statistical Mechanics

Nonreciprocal yet Symmetric Multi-Species Active Matter: Emergence of Chirality and Species Separation

Nonreciprocal active matter systems typically feature an asymmetric role among interacting agents, such as a pursuer-evader relationship. We propose a multi-species nonreciprocal active matter model that is invariant under permutations of the particle species. The nonreciprocal, yet symmetric, interactions emerge from a constant phase shift in the velocity alignment interactions, rather than from an asymmetric coupling matrix. This system possessing permutation symmetry displays rich collective behaviors, including a species-mixed chiral phase with quasi-long-range polar order and a species separation phase characterized by vortex cells. The system also displays a coexistence phase of the chiral and the species separation phases, in which intriguing dynamic patterns emerge. These rich collective behaviors are a consequence of the interplay between nonreciprocity and permutation symmetry.
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Strongly Correlated Electrons

Spiral states, first-order transitions and specific heat multipeak phenomenon in $J_1$-$J_2$-$J_3$ Ising model: A Wang-Landau algorithm study

The classical $J_1$-$J_2$-$J_3$ Ising model on the honeycomb lattice is important for understanding frustrated magnetic phenomena in materials such as FePS$_3$ and Ba$_2$CoTeO$_6$, where diverse phases (e.g., striped, zigzag, armchair) and magnetization plateaus have been experimentally observed. To explain the experimental results, previous mean-field studies have explored its thermal phase transitions, identifying armchair phases and striped phases, but their limitations call for more reliable numerical investigations. In this work, we systematically revisit the classical \(J_1\)–\(J_2\)–\(J_3\) Ising model using the Wang–Landau algorithm; in strongly frustrated parameter regimes where the Wang–Landau sampling becomes difficult, we further employ parallel tempering and a two-replica cluster algorithm combined with population annealing. We find that the armchair (AC) phase, previously reported in mean-field and experimental studies, actually coexists with the spiral (SP) phase, with their combined degeneracy reaching 20-fold (4-fold for the AC states and 16-fold for the spiral states). The phase transitions and critical exponents are studied at different interaction values. We observe first-order phase transitions, continuous phase transitions, and even the multipeak phenomenon in frustrated systems. These results clarify the nature of phases and phase transitions in frustrated Ising systems and their exponents, and additionally provide inspiration for experimental efforts to search for the spiral state and the specific-heat multipeak phenomenon.
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All authors Habib Ullah, Kun Li, Haoyu Lu, Youjin Deng, Wanzhou Zhang

Statistical Mechanics

Time transport correlations in abelian sandpile models

Sandpiles form one of the largest class of models displaying a critical stationary state. Despite a few decades of research, a comprehensive and systematic rigorous characterisation of their spatial and, even more, time dependent properties has remained elusive. Among the obstacles, we can mention their out of equilibrium and non-linear dynamics features which prevent, in general, the access to the stationary properties explicitly. In fact, even the knowledge of the stationary state is quite exceptional in sandpiles. In that respect, it has become standard to develop a model to model strategy and, so to say, general results or tools applicable to these systems are missing. In this paper, we unveil general and simple properties of time transport correlations in certain classes of abelian sandpile models. We proceed gradually, starting from results applicable in a broad context, to more and more specific ones, consequently valid to smaller and smaller classes. For instance, we show, under a few hypothesis, that the number of particles dissipated displays mostly anticorrelation in time. Besides, on a more integrable point of view, the approach followed might culminate with the proof of a link between 2-points time transport correlations and the second moment of the integrated transport over time. To be clear, these two quantities are related through a linear system of equations which is explicitly solved and applies to at least three 1D sandpile models, namely the Directed Stochastic Sandpile, the Oslo and the Activated Random Walk (in a peculiar setup) models.
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Disordered Systems and Neural Networks

Density of scattering resonances in a disordered system

Reflection of particles from a disordered or chaotic medium is characterized by a scattering matrix that can be represented as a superposition of resonances. Each resonance corresponds to an eigenstate inside the medium and has a width related to the decay time of this eigenstate. We develop a general approach to study the distribution function of these resonance widths based on the nonlinear sigma model. We derive an integral representation of the distribution function that works equally well for systems of any symmetry and for any type of coupling to the measuring device. From this integral representation we find explicit analytic expressions for the distribution function in the case of disordered metallic grains. We also compare the analytic results to large-scale numerical simulations and observe their perfect agreement.
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Mesoscale and Nanoscale Physics

Extreme Nanoconfinement Reshapes the Self-Dissociation of Water

Water's ability to self-dissociate into H$_3$O$^+$ and OH$^-$ ions is central to acid-base chemistry and bioenergetics. Recent experimental advances have enabled the confinement of water down to the nanometre scale, even to the single-molecule limit, yet how this process is altered at the extreme nanoconfinement remains unclear. Using ab-initio calculations and enhanced-sampling machine-learning potential molecular dynamics, we show that monolayer-confined water exhibits a markedly lower barrier to auto-dissociation than bulk water. Confinement restructures both intramolecular bonding and the intermolecular hydrogen-bond network, while enforcing quasi-2D dipolar correlations that amplify dielectric fluctuations. Our results imply that two-dimensional confined water could act as a superdielectric medium and may exhibit superionic behavior, as observed in recent experiments. These findings reveal confinement as a powerful route to enhanced proton activity, shedding light on geochemical niches, biomolecular environments, and nanofluidic systems where water's chemistry is fundamentally reshaped.
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Mesoscale and Nanoscale Physics · Cross-listed from physics.optics

Sub-nanometer 3D morphometric precision of polarisation-resolved wide-field optical extinction microscopy determines the roundness of individual gold nanospheres

Quantitative polarisation-resolved optical extinction microscopy of individual plasmonic nanoparticles has recently been introduced as a powerful tool to characterise the nanoparticle's morphology with a precision comparable to electron microscopy, while using a simple optical microscope [Nanoscale 12, 16215 (2020)]. Here we provide a step change by adding measurements for radial polarisation in the condenser back focal plane, probing plasmonic resonances polarised in axial direction. The combined linear and radial polarisation measurements provide a significantly enhanced precision of the retrieved 3D morphology, as we show on defect-free ultra-uniform gold nanospheres of 30 nm nominal diameter characterised by transmission electron microscopy. The measured cross-sections are modelled for an ellipsoidal particle, determining the three semi-axes and rotation angles by fitting the measurements. The material permittivity and surface damping providing the best fit are found. The particle aspect ratio is determined with a precision better than 5%, and the size with an impressive precision of 0.1 nm. Notably, corrections to the Rayleigh-Gans ellipsoid model due to retardation are significant even though the particle diameters are more than an order of magnitude smaller than the wavelength in the medium. Taking them into account improves the shape accuracy.
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All authors Lukas M Payne, Furqan Alabdullah, Paola Borri, Wolfgang Langbein

Mesoscale and Nanoscale Physics

Identification and optimization of accurate spin models for Fermi-Hubbard ladders using matrix product states

Open-shell nanographenes offer a controlled setting to study correlated magnetism emerging from $\pi$-electron systems. Here, we study non-bipartite Fermi-Hubbard ladders describing oligo(indenoindene) molecules. These feature a gapped, weakly dispersing manifold of quasizero modes in their single-particle spectra, and we show that their low-energy properties can be effectively mapped onto an interacting set of spin-1/2 degrees of freedom. Using density matrix renormalization group simulations of the full Fermi-Hubbard model, we obtain their excitation spectra, entanglement profiles, and spin-spin correlations. We then construct optimized delocalized fermionic modes that act as emergent spins and demonstrate that their interactions are well described by a frustrated $J_1$-$J_2$ Heisenberg chain. This effective description clarifies how spin degrees of freedom arise and interact in non-bipartite nanographene ladders, providing a compact and accurate representation of their correlated behavior.
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All authors Andoni Agirre, Thomas Frederiksen, Geza Giedke, Tobias Grass