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Physics Condensed Matter

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Tuesday 9 December

Mesoscale and Nanoscale Physics

Sub-diffraction-resolved spatial distribution of emitting excitons in STM-induced luminescence of 2D semiconductors via Richardson-Lucy deconvolution

Using scanning tunneling microscopy-induced luminescence (STML), the optical properties of two-dimensional (2D) semiconductors may be investigated at the nanoscale. This is possible because the tunneling current under the tip is an extremely localized electrical excitation source. However, in most STML applications, the spatial distribution of the emission relative to the excitation point is unresolved. Yet this distribution contains key information about how the interaction of excitons with injected charge carriers affects the luminescence of these materials, and about exciton transport. Resolving this spatial distribution at the nanoscale is relevant both for a fundamental understanding of exciton physics and for device applications; yet it remains a significant challenge. In this work, we resolve the spatial distribution of the emission beyond the diffraction limit of light by deconvolving real-space optical microscopy images of the STML using an iterative algorithm, i.e., Richardson-Lucy (RL) deconvolution. To showcase this technique, we apply it to the STML of monolayer tungsten diselenide ($\mathrm{WSe_2}$) and tungsten disulfide ($\mathrm{WS_2}$). Thus, we highlight hitherto ignored or misunderstood aspects of STML on 2D semiconductors related to exciton and charge carrier transport, namely the dependence of the spatial distribution of emission on the tunnel current setpoint and the origin of the emission from hot spots located micrometers from the excitation source.
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All authors Elysé Laurent, Ricardo Javier Peña Román, Sarah Miller, Aditi Raman Moghe, Etienne Lorchat, Séverine Le Moal, Elizabeth Boer-Duchemin, Luiz Fernando Zagonel, Stéphane Berciaud, Eric Le Moal

Disordered Systems and Neural Networks

Rheological Parameter Identification in Granular Materials Using Physics-Informed Neural Networks

Physics-Informed Neural Networks (PINNs) have recently emerged as a promising tool for fluid dynamics, particularly for flow reconstruction and parameter identification. In the context of granular media, accurately estimating rheological parameters remains a major challenge, as it typically requires complex and costly experimental setups. In this work, we propose a PINN-based approach to identify key rheological parameters of granular materials using a simple experiment: the granular column collapse. A proof of concept is presented using synthetic data, where the PINN is trained to infer the flow fields while simultaneously recovering the rheological parameters. Beyond parameter identification, the method also enables reconstruction of the pressure field, which is difficult to access experimentally. The results highlight the potential of PINNs for data-driven rheometry of granular materials and open perspectives for future applications with real experimental data.
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All authors Barbara Baldoni, Mickaël Delcey, Yoann Cheny, Adrien Gans, Mathieu Jenny, Sébastien Kiesgen de Richter

Mesoscale and Nanoscale Physics

An extended low-frequency noise compact model for single-layer graphene FETs including correlated mobility fluctuations effect

Correlated mobility fluctuations are considered in the physics-based carrier number fluctuation deltaN low-frequency noise (LFN) compact model of single-layer graphene field effect transistors (GFET) in the present study. Trapped charge density and Coulomb scattering coefficient deltaN LFN parameters are obtained after applying a parameter extraction methodology, adapted from conventional silicon technologies, to the linear ambipolar regions of GFETs. Appropriate adjustments are considered in the method according to GFETs physical characteristics. Afterwards, Hooge mobility as well as series resistance fluctuations LFN parameters can be extracted. The updated LFN model is validated with experimental data from various long and short-channel GFETs at an extended range of gate and drain bias conditions.
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Materials Science

Chiral-phonon generation of orbital currents in light transition metals

Orbital angular momentum offers a new channel for information transport in a vast set of materials. Its coherent generation and detection remain, however, largely unexplored. Here, we demonstrate that chiral surface acoustic waves (SAWs) generate sizable orbital currents in light-metal/ferromagnet bilayers through both the acoustic orbital Hall effect and acoustic orbital pumping. Using symmetry analysis of SAW-driven voltages, we disentangle vorticity-sensitive orbital currents arising from lattice rotation in the non-magnetic layer from angular-momentum pumping from the ferromagnet. Strong signals are observed only in nickel/chromium and nickel/titanium, while nickel/aluminum and all cobalt-based bilayers show negligible responses, revealing the critical roles of orbital Hall conductivity, phonon-orbital coupling, and interfacial orbital transparency. Comparison with spin-torque ferromagnetic resonance and second-harmonic measurements – where electrically driven orbital angular momentum are weaker – demonstrates that phonon excitation generates orbital currents more efficiently. These results establish chiral SAWs as an effective route for orbitronic functionality and open pathways toward phonon-controlled orbital magnetism.
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All authors Marc Rovirola, Júlia Òdena, Anna Castellví, Quim Badosa, Blai Casals, Adrián Gudín, Haripriya Madathil, Fernando Ajejas, Paolo Perna, Alberto Hernández-Mínguez, Joan Manel Hernández, Saül Vélez, Ferran Macià

Materials Science · Cross-listed from physics.optics

Dielectric permittivity tensor dynamics of in-plane hyperbolic van der Waals MoOCl2 and emergent chiral photonic applications

Van der Waals (vdW) crystals offer unique opportunities for modern nanophotonic applications owing to their intrinsic anisotropic nature. While most of them exhibit uniaxial anisotropy arising from weak out-of-plane vdW interaction, some of their representative families also exhibit an in-plane biaxial anisotropy. Among the latter, outstand vdW oxochlorides with in-plane axes of a different physical character (metallic or dielectric). Here, we present an accurate dynamics of dielectric permittivity tensor components of vdW MoOCl2 in the ultraviolet (UV) to visible (Vis) spectral region partly covering near-infrared (NIR). Addressing its enormously anisotropic optical constants, we focus on another hyperbolicity window of vdW MoOCl2 emerging in the UV spectral region that may potentially unlock rich light-matter interaction effects. Furthermore, we propose an approach towards designing nanoscale handedness preserved Vis light circular polarizers based on twisted helical vdW MoOCl2 heterostructures. Our findings display that vdW MoOCl2 provides a highly promising platform not only for hyperbolic, but also for chiral nanophotonic applications.
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All authors Artsruni Margaryan, Maksim Sargsyan, Meri Hayrapetyan, David Karakhanyan, Kostya S. Novoselov, Davit A. Ghazaryan

Materials Science

Disorder-mediated linear and nonlinear magnetotransport in the charge-density-wave material ${\rm Ta_2NiSe_7 }$

We report disorder-mediated first-order linear and higher-order nonlinear (magneto-)transport of Ta$_2$NiSe$_7$ (TNS) in the charge-density-wave (CDW) regime. CDW transition temperature ($T_{CDW}$) and carrier density are proportional and inversely proportional to residual resistance ratio of samples, respectively. Such relation helps to understand the unique CDW order therein. High-$T_{CDW}$ TNS exhibits negative first-harmonic magnetoresistance (MR$^{1\omega}$) under a magnetic field ($B$) parallel to the direction of alternating current ($I^{\omega}$), which may arise from the anomalous velocity induced by the Berry curvature of three-dimensional topological bands near the Fermi level. As $T_{CDW}$ drops, a positive-to-negative MR$^{1\omega}$ transition is observed with decreasing perpendicular $B$, which is likely due to the contribution of Zeeman effect on current pathways in the disordered system. Moreover, interestingly, the second-harmonic nonlinear signals are suppressed, while the third-harmonic signals are significant and sensitive to both $B$ and $T_{CDW}$. Such observations, together with scaling analysis, suggest the quantum geometry quadrupole at play and the modulation of disorder on third-order nonlinearity. Our results pave an avenue for tailoring distinct-order magnetoresistive phases in disordered topological materials.
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All authors Xiaodong Sun, Jiabin Qiao, Yuanzhe Li, Wanli He, Jiali Chen, Jinjin Liu, Yuxiang Chen, Yuchen Ma, Meiling Jin, Jianlin Luo, Jie Chen, Wei Wu, Zhiwei Wang, Wei Jiang, Xiang Li, Yugui Yao

Strongly Correlated Electrons

Topological spin-up triplet excitonic condensation in two-dimensional electron-hole systems

We investigate topological spin-up triplet excitonic condensation and its competition with other stabilities in a two-dimensional interacting electron-hole system taking into account Rashba spin-orbit coupling and external magnetic fields. Using an unrestricted Hartree-Fock approach, we self-consistently evaluate spin-selective excitonic condensate order parameters and the Chern number. The ground state phase diagram in the dependence on magnetic field and Coulomb interaction shows a spin-up triplet excitonic condensate (EC) with a nonzero Chern number, emerging uniquely away from the topologically trivial singlet and spin-down triplet EC regions. Strong spin-polarized triplet excitonic fluctuations preceding the condensation are further revealed through the signatures of the dynamical excitonic susceptibility spectra. Our results establish a class of topological quantum phases driven by excitonic coherence and suggest a realistic pathway to its realization in a distorted Janus monolayer of transition metal dichalcogenides or some twisted van der Waals heterostructures.
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Soft Condensed Matter · Cross-listed from q-bio.BM

ATP-Independent Entropy-Driven dsRNA Unwinding by DDX3X Revealed by Coarse-Grained Simulations and Deep Learning

DEAD-box RNA helicases (DDXs) are traditionally known as ATP-dependent motors that unwind double-stranded RNA (dsRNA). Recent experiments, however, show that some DDXs promote dsRNA unwinding even in the absence of ATP, raising a fundamental question about the physical mechanism underlying ATP-independent strand separation. Here, we develop a minimal, physics-based coarse-grained RNA model and incorporate weak, specific interactions between DDX3X and dsRNA, revealing the inherently stochastic nature of unwinding events. The unwinding process must overcome an energy barrier, but thermal fluctuations and entropy gain provide a driving force for RNA remodeling. We identify that dsRNA separation proceeds through rare yet obligatory strand-displacing intermediates facilitated by DDX3X. By combining deep learning-assisted analysis, we further rank the contributions of different entropic components, revealing hydrogen bonding as the dominate factor, followed by base stacking and then the backbone conformation. These findings reveal a previously unrecognized physical mechanism for RNA duplex unwinding and offer an effective framework for studying RNA remodeling kinetics.
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Materials Science

Structural and Thermal Stability of B4C/Ru Multilayers with Carbon Barrier Layers

The chemical interaction between Mo and Ru layers in multilayer structures depending on the thickness ratio ($\Gamma$) was carried out using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and X-ray reflectometry (XRR). The results showed significant interaction of materials inside multilayer structures with the formation of ruthenium borides, with an increase in the B4C layer thickness (a decrease in the $\Gamma$ parameter) leading to the formation of ruthenium borides of different stoichiometry. The introduction of a carbon barrier layer at the Ru-on-B4C interface resulted in significant suppression of ruthenium boride formation. The thermal stability of the B4C/Ru system was also studied upon annealing at 400$^{\circ}$C for 1 hour before and after the introduction of the carbon barrier layer. It was shown that the introduction of a carbon barrier layer at the Ru-on-B4C interface increases the thermal stability of the system, which makes this system more suitable for use in optical systems exposed to long-term radiation. The obtained results are important for the development of highly efficient multilayer mirrors used in EUV lithography and X-ray optics.
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All authors A.V. Bugaev, S.S. Sakhonenkov, A.U. Gaisin, R.A. Shaposhnikov, V.N. Polkovnikov, E.O. Filatovaa

Materials Science

Halogen Chains with One-Dimensional Semi-Metallic Electronic Structure and Peierls Physics in Polymorphs of Na4X5 (X = I, Br, Cl) Compounds

Since the pioneering works of Peierls, one-dimensional materials have attracted great attention. Still, the synthesis of truly monoatomic chains remains elusive. In this study, we explore a novel path of experimental synthesis of monoatomic one-dimensional chains by their chemical stabilization in ionic compounds. We demonstrate that in synthesized at high pressure sodium halides Na4X5 (X = I, Br, Cl) with hP18 Ga4Ti5-type structures, transfer of valence electrons from cations to anions leads to the formation of halogen chains connected with other atoms only by ionic interaction and having one-dimensional electronic structure. The Peierls physics in the systems is confirmed by theoretical calculations, newly synthesized incommensurately modulated i-hP18-Na4X5 (X = I, Br, Cl) compounds, as well as by the discovered hP36 phases of Na4Cl5 and Na4Br5.
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All authors Yuqing Yin, Nityasagar Jena, Florian Knoop, Gaston Garbarino, Ferenc Tasnádi, Florian Trybel, Sergei I. Simak, Mikhail I. Katsnelson, Alena Aslandukova, Andrey Aslandukov, Xiang Li, Anaëlle Antunes, Fariia Iasmin Akbar, Konstantin Glazyrin, Haixing Fang, James A. D. Ball, Natalia Dubrovinskaia, Leonid Dubrovinsky, Igor A. Abrikosov

Soft Condensed Matter

Forces at the scale of the cell

The importance of molecular-scale forces in sculpting biological form and function has been acknowledged for more than a century. Accounting for forces in biology is a problem that lies at the intersection of soft condensed matter physics, statistical mechanics, and experimental methods, all adapted to a cellular context. This review surveys how forces arise within the cell. We provide a summary of the relevant background in cell biophysics, of soft-matter systems in and out of thermodynamic equilibrium, and of various force measurement methods. These ideas are then deployed to describe how forces are generated, transmitted, and sensed in specific cell-scale processes. We emphasize active matter descriptions, methodological tools that provide ways of incorporating non-equilibrium effects in a systematic manner into conceptual as well as quantitative descriptions. Our examples include polymerization forces, the motion of molecular motors, the properties of the actomyosin cortex, the mechanics of cell division, and shape changes in tissues. We suggest that a deeper understanding of cell function will necessarily require integrating the action of cell-scale physical forces with the assimilation and processing of information.
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All authors K. Vijay Kumar, Mandar M. Inamdar, Pramod A. Pullarkat, Gautam I. Menon

Materials Science

Ultrafast light-induced formation of a metastable hidden state in bismuth vanadate

Bismuth vanadate (BiVO$_4$) is a key photocatalyst for solar fuel applications, yet fundamental questions remain regarding the nature of photogenerated polaronic states and the lattice dynamics that govern its light-to-chemical pathways. Here, we use femtosecond optical pump-X-ray probe measurements to track the photoinduced electronic and structural dynamics in BiVO$_4$ across multiple length and time scales. Transient X-ray absorption spectroscopy captures sub-picosecond electron localization within VO$_4$ tetrahedra, consistent with small polaron formation, whereas time-resolved X-ray diffraction reveals a slower, multi-picosecond lattice reorganization into a hidden photoexcited state that is structurally distinct from both the monoclinic ground state and the high-temperature tetragonal phase. Supported by density functional theory, we show that hole-lattice interactions dynamically reduce the ground state monoclinic distortion, stabilizing the hidden state. Our results demonstrate that electron- and hole-lattice coupling jointly shape the excited state landscape, with implications for carrier transport, interfacial energetics, and light-to-chemical energy conversion pathways.
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All authors Viktoria F. Kunzelmann, Verena Streibel, Philip Schwinghammer, Philipp Kollenz, Burak Guzelturk, Franziska S. Hegner, Lissa Eyre, Frederico P. Delgado, Tsedenia A. Zewdie, Markus W. Heindl, Danyellen D. Monteiro Galindo, Daniel Sandner, Guanda Zhou, Elise Sirotti, Stanislav Bodnar, Yifeng Jiang, Yohei Uemura, Tobias Eklund, Frederico Lima, Xinchao Huang, Doriana Vinci, Fernando Ardana Lamas, Peter Zalden, Hristo Iglev, David A. Egger, Felix Deschler, Ian D. Sharp

Materials Science

A Transcorrelated Wave-Function Framework for Solids: An Application to Bulk and Defected Silicon

Accurate wave-function descriptions of pristine and defected solids remain challenging due to the simultaneous presence of finite-size, basis-set, and correlation errors. While embedding techniques alleviate finite-size effects and correlated wave-function approaches systematically improve correlation, basis-set incompleteness continues to limit practical accuracy. Here we present a study of transcorrelated (TC) many-body wave-function methods on properties of solid state systems. We augment the existing xTC theory to periodic systems, and establish an unified transcorrelated embedding framework that integrates periodic TC theory with fragment-based correlated solvers. Using silicon as a test case, we validate the method against coupled-cluster, FCIQMC, and diffusion Monte Carlo benchmarks for bulk. Then we apply TC embedding to calculation of formation energies of two silicon self-interstitials. The TC Hamiltonian yields rapid basis convergence and quantitatively reliable defect formation energies at the triple-$\zeta$ level, substantially reducing the basis-set bottleneck for wave-function treatments of crystalline defects.
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All authors Kristoffer Simula, Johannes Hauskrecht, Evelin Martine Corvid Christlmaier, Pablo Lopez-Rios, Daniel Kats, Denis Usvyat, Ali Alavi

Superconductivity

Finite-Temperature $\textit{ab initio}$ Structural Optimization of the Bilayer Nickelate Superconductor La$_3$Ni$_2$O$_7$

We develop a first-principles framework for finite-temperature structural optimization that incorporates vibrational contributions to the free energy through anharmonic phonon theory. We extend and further improve the efficiency of the recent approach, enabling its application to systems in which the size of the primitive cell changes across structural phase transitions. Applying this framework to La$_3$Ni$_2$O$_7$, we establish its pressure-temperature phase diagram and find that the slope of the phase boundary between the high-symmetry and low-symmetry phases is negative, with a magnitude of approximately -60 K / GPa. The present results provide a theoretical foundation for discussing how changes in crystal symmetry influence the emergence of superconductivity.
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All authors Ryoma Asai, Ryotaro Arita, Takumi Chida, Ryota Masuki, Kazuhiko Kuroki, Terumasa Tadano

Materials Science

Coalescence of multiple topological orders in quasi-one-dimensional bismuth halide chains

Topology is being widely adopted to understand and to categorize quantum matter in modern physics. The nexus of topology orders, which engenders distinct quantum phases with benefits to both fundamental research and practical applications for future quantum devices, can be driven by topological phase transition through modulating intrinsic or extrinsic ordering parameters. The conjoined topology, however, is still elusive in experiments due to the lack of suitable material platforms. Here we use scanning tunneling microscopy, angle-resolved photoemission spectroscopy, and theoretical calculations to investigate the doping-driven band structure evolution of a quasi-one-dimensional material system, bismuth halide, which contains rare multiple band inversions in two time-reversal-invariant momenta. According to the unique bulk-boundary correspondence in topological matter, we unveil a composite topological phase, the coexistence of a strong topological phase and a high-order topological phase, evoked by the band inversion associated with topological phase transition in this system. Moreover, we reveal multiple-stage topological phase transitions by varying the halide element ratio: from high-order topology to weak topology, the unusual dual topology, and trivial/weak topology subsequently. Our results not only realize an ideal material platform with composite topology, but also provide an insightful pathway to establish abundant topological phases in the framework of band inversion theory.
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All authors Jingyuan Zhong, Ming Yang, Wenxuan Zhao, Kaiyi Zhai, Xuan Zhen, Lifu Zhang, Dan Mu, Yundan Liu, Zhijian Shi, Ningyan Cheng, Wei Zhou, Jianfeng Wang, Weichang Hao, Zhenpeng Hu, Jincheng Zhuang, Jinhu Lü, Yi Du

Mesoscale and Nanoscale Physics

Field manipulation of Weyl modes in an ideal Dirac semimetal

The emergent Weyl modes with the broken time-reversal symmetry or inversion symmetry provide large Berry curvature and chirality to carriers, offering the realistic platforms to explore topology of electrons in three-dimensional systems. However, the reversal transition between different types of Weyl modes in a single material, which is of particular interest in the fundamental research in Weyl physics and potential application in spintronics, is scarcely achieved due to restriction of inborn symmetry in crystals. Here, by tuning the direction and strength of magnetic field in an ideal Dirac semimetal, Bi4(Br0.27I0.73)4, we report the realization of multiple Weyl modes, including gapped Weyl mode, Weyl nodal ring, and coupled Weyl mode by the magnetoresistivity measurements and electronic structure calculations. Specifically, under a magnetic field with broken mirror symmetry, anomalous Hall effect with step feature results from the large Berry curvature for the gapped Weyl mode. A prominent negative magnetoresistivity is observed at low magnetic field with preserved mirror symmetry and disappears at high magnetic field, which is correlated to the chiral anomaly and its annihilation of Weyl nodal ring, respectively. Our findings reveal distinct Weyl modes under the intertwined crystal symmetry and time-reversal breaking, laying the foundation of manipulating multiple Weyl modes in chiral spintronic network.
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All authors Jingyuan Zhong, Jianfeng Wang, Ming Yang, Jie Liu, Zhizhen Ren, Anping Huang, Zhixiang Shi, Zengwei Zhu, Yan Shi, Weichang Hao, Jincheng Zhuang, Yi Du

Strongly Correlated Electrons · Cross-listed from hep-th

Haagerup Symmetry in $(E_8)_1$?

We suggest that the chiral $(\mathfrak{e}_8)_1$ theory – in many senses the simplest VOA – may have Haagerup symmetry $\mathcal{H}_i$ for $i=1,2,3$. Likewise, we suggest that the non-chiral $(E_8)_1$ WZW model may have $\mathcal{H}_i \times \mathcal{H}_i^\textrm{op}$ symmetry, and that gauging the diagonal symmetry gives a $c=8$ theory with $\mathcal{Z}(\mathcal{H}_3)$ symmetry, which is the theory predicted in \cite{Evans:2010yr}. Along the way, we show that $(E_8)_1$ also has a $\mathrm{Fib} \times \mathrm{Fib}^\text{op}$ symmetry, and that gauging the diagonal symmetry gives the $(G_2)_1 \times (F_4)_1$ WZW model, explaining the well-known conformal embedding $(G_2)_1 \times (F_4)_1 \subset (E_8)_1$. Finally, we suggest a relation to theories with $\mathcal{H}_3$ symmetry at $c=2,6$, complimenting the discussion with new modular bootstrap results.
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All authors Jan Albert, Yamato Honda, Justin Kaidi, Yunqin Zheng

Quantum Gases

Direct Generation of an Array with 78400 Optical Tweezers Using a Single Metasurface

Scalability remains a major challenge in building practical fault-tolerant quantum computers. Currently, the largest number of qubits achieved across leading quantum platforms ranges from hundreds to thousands. In atom arrays, scalability is primarily constrained by the capacity to generate large numbers of optical tweezers, and conventional techniques using acousto-optic deflectors or spatial light modulators struggle to produce arrays much beyond $\sim 10,000$ tweezers. Moreover, these methods require additional microscope objectives to focus the light into micrometer-sized spots, which further complicates system integration and scalability. Here, we demonstrate the experimental generation of an optical tweezer array containing $280\times 280$ spots using a metasurface, nearly an order of magnitude more than most existing systems. The metasurface leverages a large number of subwavelength phase-control pixels to engineer the wavefront of the incident light, enabling both large-scale tweezer generation and direct focusing into micron-scale spots without the need for a microscope. This result shifts the scalability bottleneck for atom arrays from the tweezer generation hardware to the available laser power. Furthermore, the array shows excellent intensity uniformity exceeding $90\%$, making it suitable for homogeneous single-atom loading and paving the way for trapping arrays of more than $10,000$ atoms in the near future.
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All authors Yuqing Wang, Yuxuan Liao, Tao Zhang, Ye Tian, Yujia Wu, Wenjun Zhang, Wei Zhang, Yidong Huang, Hui Zhai, Wenlan Chen, Xue Feng, Zhongchi Zhang

Strongly Correlated Electrons

Dynamics of Quantum Chiral Solitons

We introduce a nonperturbative framework for quantizing chiral solitons in interacting quantum spin chains. This approach provides a direct lattice extension of the well-established $S$-duality between the sine-Gordon and Thirring models, thereby bridging the gap between continuum dualities and their lattice counterparts. By constructing the quantum chiral-soliton operators explicitly, we show how their unconventional dynamics appear in the excitation spectrum and correlation functions across the full Brillouin zone. A key result is that the dominant soliton tunneling amplitude alternates in sign, $\operatorname{sgn}(t_{1+}) = (-1)^{2S+1}$, sharply distinguishing half-odd-integer from integer spin chains. We further identify characteristic signatures of these chiral excitations in the dynamical spin structure factor, demonstrating their visibility in inelastic neutron scattering. Our results open a route to experimentally probing nonperturbative features of dual quantum field theories in condensed-matter settings.
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Statistical Mechanics

Nonreciprocal dynamics with weak noise: aperiodic "Escher cycles" and their quasipotential landscape

We present an explicit construction of the Freidlin-Wentzell quasipotential of a stochastic system with two degrees of freedom and nonreciprocal interactions. This model undergoes noise-induced transitions between four metastable attractors, forming recurrent but aperiodic “Escher cycles,” similar to the cyclic nucleation dynamics observed in the nonreciprocal Ising model. We calculate the quasipotential analytically to first order in nonreciprocality. We characterise it along a one-dimensional reaction coordinate that connects the attractors, and we also obtain the full two-dimensional landscape, at leading order in perturbation theory. The resulting landscapes feature flat regions and extended plateaus, together with non-differentiable switching lines. These singular structures arise from two geometric mechanisms: the handover of dominance between competing transition paths, and the competition between basins of attraction. The system provides a rare case where the geometry of nonequilibrium rare events can be fully resolved, and a simple analytically tractable example of a quasipotential in more than one coordinate that captures a rich set of nonequilibrium features.
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Other Condensed Matter

Highly anisotropic nonrelativistic charge-to-spin conversion in altermagnets

The charge-to-spin conversion provides an efficient way to manipulate the magnetization by electrical means. In this work, we report on a study on the anisotropic nonrelativistic charge-to-spin conversion response to the current direction in altermagnets. We prove that the spin conductivity dictating the charge-to-spin conversion is equivalent to the spin-polarized conductivity difference in the nonrelativistic limit. Based on the general spin-group analysis, we derive analytical expressions for the anisotropic conversion ratio and identify its maximum value. We then exemplify those phenomena in representative altermagnets based on the density functional theory calculations. The highly anisotropic charge-to-spin conversion efficiency, varying from zero to several tens of percent, was demonstrated. Our work shines more light on the exploration of the nonrelativistic generation of spin currents in altermagnets.
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All authors Mingbo Dou, Xu Chen, Zhiguo Liu, Yu Sui, Xianjie Wang, L. L. Tao

Mesoscale and Nanoscale Physics

Device/circuit simulations of silicon spin qubits based on a gate-all-around transistor

We theoretically investigated the readout process of a spin–qubit structure based on a gate-all-around (GAA) transistor. Our study focuses on a logical qubit composed of two physical qubits. Different spin configurations result in different charge distributions, which subsequently influence the electrostatic effects on the GAA transistor. Consequently, the current flowing through the GAA transistor depends on the qubit's state. We calculated the current-voltage characteristics of the three-dimensional configurations of the qubit and GAA structures, using technology computer-aided design (TCAD) simulations. Moreover, we performed circuit simulations using the Simulation Program with Integrated Circuit Emphasis (SPICE) to investigate whether a readout circuit made from complementary metal–oxide semiconductor (CMOS) transistors can amplify the weak signals generated by the qubits. Our findings indicate that, by dynamically controlling the applied voltage within a properly designed circuit, the readout can be detected effectively based on a conventional sense amplifier.
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Materials Science

Enhancing Hole Mobility in Monolayer $WSe_{2}$ p-FETs via Process-Induced Compression

Understanding the interactions between strain, interfacial mechanics, and electrical performance is critical for designing beyond silicon electronics based on hetero-integrated 2D materials. Through combined experiment and simulation, we demonstrated and analyzed the enhancement of hole mobility in p-type monolayer $WSe_{2}$ field effect transistors (FETs) under biaxial compression. We tracked FET performance versus strain by incrementing compressive strain to $WSe_{2}$ channels via sequential AlOx deposition and performing intermediate photoluminescence and transport measurements. The hole mobility factor increased at a rate of 340 $\pm$ 95 %/%$\epsilon$, and the on-current factor increased at a rate of 460 $\pm$ 340 %/%$\epsilon$. Simulation revealed that the enhancement under compression arises primarily from a reduction in inter-valley scattering between the $\Gamma$–K valence bands, and the rate is robust against variations in carrier density, impurity density, or dielectric environment. These findings show that compressive strain is a powerful technique for enhancing performance in 2D p-FETs and that it is multiplicative with defect and doping engineering.
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All authors He Lin Zhao, Sheikh Mohd Ta-Seen Afrid, Dongyoung Yoon, Zachary Martin, Zakaria Islam, Sihan Chen, Yue Zhang, Pinshane Y. Huang, Shaloo Rakheja, Arend M. van der Zande

Superconductivity

Self-consistent solution of Eliashberg equations for metal hydride superconductors

In recent years, the quest for high critical-temperature superconductors has increasingly focused on metal and molecular hydrides, which have demonstrated potential for superconductivity at or near room temperature under extremely high pressures. Such hydrides were first proposed by N. W. Ashcroft in 1968, because hydrogen-rich materials possess elevated vibrational frequencies due to the low atomic mass of hydrogen. This article presents a self-consistent solution to the Eliashberg equations for analysing superconductivity in hydrides, contrasting with the commonly used McMillan-Allen-Dynes parameterized formula. We also analyse effects of the electron-phonon spectral function and the broadening parameters arising from phonon lifetime and sample imperfections on the superconducting critical temperature. Finally, both theoretical approaches are applied to a typical metal hydride superconductor, and the reliability of self-consistent solutions is validated against the experimentally measured critical temperature.
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Monday 8 December

Soft Condensed Matter

Understanding Structural Representation in Foundation Models for Polymers

From the relative scarcity of training data to the lack of standardized benchmarks, the creation of effective foundation models for polymers faces significant and multi-faceted challenges. At the core, many of these issues are tied directly to the structural representation of polymers. Here, we present a chemical language foundation model built on using a SMILES-based polymer graph representation (CPG) that incorporates polymer architectural features and connectivity that are often missing in other line notations. This foundation model exhibited excellent performance on 30 different polymer property benchmark datasets. Critical evaluation of the developed representation against other variations in control experiments reveals this approach to be a robust method of representing polymers in language-based foundation models. These experiments also reveal a strong invariance of structural representations to small perturbations, with many variations of structural representation exceeding or equaling state-of-the-art (SOTA) performance. Surprisingly, SMILES representations which are chemically or semantically invalid also provided near or SOTA performance in several instances–underscoring an unexamined blind spot in the development of chemistry language models. Examination of error sources and attention maps for the evaluated structural representations corroborate the findings of the control experiments, highlighting the ability of the model to interpolate SMILES sequence space in a manner that is loosely congruent to chemical and architectural space for polymers. Overall, this work highlights the surprising robustness of chemistry language models to structural representation perturbations and identifies the conditions under which CPG representation provides meaningful advantages.
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All authors Nathaniel H. Park, Eduardo Soares, Victor Y. Shirasuna, Tiffany J. Callahan, Sara Capponi, Emilio Vital Brazil

Statistical Mechanics

Quantum Monte Carlo in Classical Phase Space with the Wigner-Kirkwood Commutation Function. Results for the Saturation Liquid Density of $^4$He

A Metropolis Monte Carlo algorithm is given for the case of a complex phase space weight, which applies generally in quantum statistical mechanics. Computer simulations using Lennard-Jones $^4$He near the $\lambda$-transition, including an expansion to third order of the Wigner-Kirkwood commutation function, give a saturation liquid density in agreement with measured values.
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Materials Science · Cross-listed from eess.IV

Missing Wedge Inpainting and Joint Alignment in Electron Tomography through Implicit Neural Representations

Electron tomography is a powerful tool for understanding the morphology of materials in three dimensions, but conventional reconstruction algorithms typically suffer from missing-wedge artifacts and data misalignment imposed by experimental constraints. Recently proposed supervised machine-learning-enabled reconstruction methods to address these challenges rely on training data and are therefore difficult to generalize across materials systems. We propose a fully self-supervised implicit neural representation (INR) approach using a neural network as a regularizer. Our approach enables fast inline alignment through pose optimization, missing wedge inpainting, and denoising of low dose datasets via model regularization using only a single dataset. We apply our method to simulated and experimental data and show that it produces high-quality tomograms from diverse and information limited datasets. Our results show that INR-based self-supervised reconstructions offer high fidelity reconstructions with minimal user input and preprocessing, and can be readily applied to a wide variety of materials samples and experimental parameters.
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All authors Cedric Lim, Corneel Casert, Arthur R. C. McCray, Serin Lee, Andrew Barnum, Jennifer Dionne, Colin Ophus

Materials Science

Moire-Engineered Ferroelectric Transistors for Nearly Trap-free, Low-Power and Non-Volatile 2D Electronics

Long-range moire patterns in twisted WSe2 enable a built-in, moire-length-scale ferroelectric polarization that can be directly harnessed in electronic devices. Such a built-in ferroic landscape offers a compelling means to enable ultralow-voltage and non-volatile electronic functionality in two-dimensional materials; however, achieving stable polarization control without charge trapping has remained a persistent challenge. Here, we demonstrate a moire-engineered ferroelectric field-effect transistor (FeFET) utilizing twisted WSe2 bilayers that leverages atomically clean van der Waals interfaces to achieve efficient polarization-channel coupling and trap-suppressed, ultralow-voltage operation (subthreshold swing of 64 mV per decade). The device exhibits a stable non-volatile memory window of 0.10 V and high mobility, exceeding the performance of previously reported two-dimensional FeFET and matching that of advanced silicon-based devices. In addition, capacitance-voltage spectroscopy, corroborated by self-consistent Landau-Ginzburg-Devonshire modeling, indicates ultrafast ferroelectric switching (~0.5 microseconds). These results establish moire-engineered ferroelectricity as a practical and scalable route toward ultraclean, low-power, and non-volatile 2D electronics, bridging atomistic lattice engineering with functional device architectures for next-generation memory and logic technologies.
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All authors Arup Singha, Shaili Sett, Kenji Watanabe, Takashi Taniguchi, Arindam Ghosh, Rahul Debnath

Materials Science

Bayesian Co-Navigation of a Computational Physical Model and AFM Experiment to Autonomously Survey a Combinatorial Materials Library

Building autonomous experiment workflows requires transcending beyond the data-driven surrogate models to incorporate and dynamically refine physical theory during exploration. Here we demonstrate the first fully automated experimental realization of Bayesian co-navigation - a framework in which an autonomous agent simultaneously runs a physical experiment and a computationally expensive physical model. Using an automated AFM platform coupled to a kinetic Monte Carlo (kMC) model of thin-film growth, the system infers a set of effective bond energies for the (CrTaWV)x-Mo(1-x) pseudo-binary combinatorial library, progressively adjusting the kMC parameters to decrease the epistemic disparity between simulation and experiment. This real-time theoretical refinement enables the kMC model to capture the behavior of the specific materials system and reveals the mechanistic role of hetero-bonding in governing surface diffusion. Together, these results establish co-navigation as a general strategy for tightly integrating physical models with autonomous experimental platforms to produce interpretable and continually self-correcting theoretical modelling of complex materials systems.
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All authors Boris N. Slautin, Kamyar Barakati, Yu Liu, Reece Emery, Philip Rack, Sergei V. Kalinin

Materials Science

Predicting interstitial elements in Refractory Complex Concentrated Alloys

Refractory complex concentrated alloys, composed of multiple principal refractory elements, are promising candidates for high-temperature structural applications due to their exceptional thermal stability and high melting points. However, their mechanical performance is often compromised by interstitial impurities, particularly oxygen, nitrogen, and carbon, which segregate to grain boundaries and promote embrittlement. In this study, we investigate the solubility and thermodynamic behavior of oxygen interstitials in a model NbTiHfTa RCCA system. We synthesized NbTiHfTa alloys with varying oxygen contents via plasma arc melting and characterized their phase evolution and microstructure using XRD, SEM, and TEM. Complementary computational modeling was performed using machine-learning interatomic potentials integrated with Monte Carlo simulations to probe oxygen interactions at the atomic scale. Our results reveal a solubility limit for oxygen between 0.8 and 1.0 atomic percentage, beyond which HfO2 formation is energetically favorable. This combined experimental-computational framework provides a predictive approach for managing interstitial behavior in RCCAs, enabling improved alloy design strategies for enhanced mechanical performance.
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All authors Aomin Huang, Siya Zhu, Calvin Belcher, Ryker Rigsby, Diran Apelian, Raymundo Arróyave, Enrique J. Lavernia