Showing 1–50 of 1,101 results for author: Liu, C

QMBench: A Research Level Benchmark for Quantum Materials Research

Authors: Yanzhen Wang, Yiyang Jiang, Diana Golovanova, Kamal Das, Hyeonhu Bae, Yufei Zhao, Huu-Thong Le, Abhinava Chatterjee, Yunzhe Liu, Chao-Xing Liu, Felipe H. da Jornada, Binghai Yan, Xiao-Liang Qi

Abstract: We introduce QMBench, a comprehensive benchmark designed to evaluate the capability of large language model agents in quantum materials research. This specialized benchmark assesses the model's ability to apply condensed matter physics knowledge and computational techniques such as density functional theory to solve research problems in quantum materials science. QMBench encompasses different doma… ▽ More We introduce QMBench, a comprehensive benchmark designed to evaluate the capability of large language model agents in quantum materials research. This specialized benchmark assesses the model's ability to apply condensed matter physics knowledge and computational techniques such as density functional theory to solve research problems in quantum materials science. QMBench encompasses different domains of the quantum material research, including structural properties, electronic properties, thermodynamic and other properties, symmetry principle and computational methodologies. By providing a standardized evaluation framework, QMBench aims to accelerate the development of an AI scientist capable of making creative contributions to quantum materials research. We expect QMBench to be developed and constantly improved by the research community. △ Less

Submitted 18 December, 2025; originally announced December 2025.

Comments: 20 pages, 1 figure

Scalable tests of quantum contextuality from stabilizer-testing nonlocal games

Authors: Wanbing Zhao, H. W. Shawn Liew, Wen Wei Ho, Chunxiao Liu, Vir B. Bulchandani

Abstract: Soon after the dawn of quantum error correction, DiVincenzo and Peres observed that stabilizer codewords could give rise to simple proofs of quantumness via contextuality. This discovery can be recast in the language of nonlocal games: every $n$-qubit stabilizer state defines a specific "stabilizer-testing" $n$-player nonlocal game, which quantum players can win with probability one. If quantum pl… ▽ More Soon after the dawn of quantum error correction, DiVincenzo and Peres observed that stabilizer codewords could give rise to simple proofs of quantumness via contextuality. This discovery can be recast in the language of nonlocal games: every $n$-qubit stabilizer state defines a specific "stabilizer-testing" $n$-player nonlocal game, which quantum players can win with probability one. If quantum players can moreover outperform all possible classical players, then the state is contextual. However, the classical values of stabilizer-testing games are largely unknown for scalable examples beyond the $n$-qubit GHZ state. We introduce several new methods for upper-bounding the classical values of these games. We first prove a general coding-theory bound for all stabilizer-testing games: if the classical value $p_{\mathrm{cl}}^* < 1$, then $p_{\mathrm{cl}}^* \leq 7/8$, i.e., there is no classical strategy that can perform as well as the optimal quantum strategy even in an asymptotic sense. We then show how to tighten this bound for the most common scalable examples, namely GHZ, toric-code and cyclic cluster states. In particular, we establish an asymptotically tight upper bound for cyclic cluster states using transfer-matrix methods. This leads to the striking conclusion that measuring an exponentially small fidelity to the cyclic cluster state will suffice to witness its contextuality. △ Less

Submitted 18 December, 2025; originally announced December 2025.

Comments: 27+4 pages, 4 figures

Crossover Dynamics of Non-Fickian Ionic Diffusion in Solids

Authors: Gangbin Yan, Pierfrancesco Ombrini, Zhichu Tang, Shakul Pathak, Maoyu Wang, Barbara Lavina, Alexandros Vasileiadis, Suin Choi, Mingzhan Wang, Dongchen Ying, Qizhang Li, Esen E. Alp, Hua Zhou, Martin Z. Bazant, Qian Chen, Marnix Wagemaker, Chong Liu

Abstract: Ionic diffusion in solids is central to energy storage, electronics, and catalysis, yet its chemical origins are difficult to resolve because conventional diffusion models struggle with effects of confinement, crystallographic disorder, lattice distortions, and coupling to electronic or phononic carriers. These challenges are especially pronounced in battery materials, where ionic and electronic m… ▽ More Ionic diffusion in solids is central to energy storage, electronics, and catalysis, yet its chemical origins are difficult to resolve because conventional diffusion models struggle with effects of confinement, crystallographic disorder, lattice distortions, and coupling to electronic or phononic carriers. These challenges are especially pronounced in battery materials, where ionic and electronic motion occur together, complicating interpretation of electrochemical measurements. Here we use tracer exchange as a direct, non-electrochemical probe to reveal distinct ion-transport regimes in the one-dimensional conductor olivine Li_xFePO4 (0 <= x <= 1). Lithium isotope exchange validates single-file diffusion governed by strong ion-ion correlations, where 1D confinement suppresses bypassing and preserves spatial order. Kinetic Monte Carlo simulations and chronoamperometry quantify both Faradaic and non-Faradaic surface exchange, identifying electron transport, rather than Li+ mobility, as the rate-limiting step for electrochemical reaction. In addition, Li-Na exchange exhibits apparent superdiffusion, with rates that increase with Na content. Simulations attribute this behavior to surface-exchange limitations and Na-induced lattice strain that enhances cross-channel Li+ hopping and drives a crossover from 1D to quasi-2D transport. Four-dimensional STEM, in situ synchrotron XRD, X-ray absorption spectroscopy, and Mossbauer spectroscopy confirm that lattice softening and concerted polaron motion contribute to the observed dynamics. These results establish tracer exchange as a powerful tool for probing coupled ion-electron transport and provide chemical insight into how lattice mechanics and multicomponent exchange shape ionic diffusion in solids. △ Less

Submitted 14 December, 2025; originally announced December 2025.

Spectroscopic evidences for the spontaneous symmetry breaking at the $SO(5)$ deconfined critical point of $J$-$Q_3$ model

Authors: Shutao Liu, Yan Liu, Chengkang Zhou, Zhe Wang, Jie Lou, Changle Liu, Zheng Yan, Yan Chen

Abstract: Recent numerical and theoretical studies on the two-dimensional $J$-$Q_3$ model suggests that the deconfined quantum critical point is actually a $SO(5)$-symmetry-enhanced first-order phase transition that is spontaneously broken to $O(4)$. However, this conclusion has mainly relied on finite-size scaling of the entanglement entropy, lacking direct evidence from physical observables.} Here, we inv… ▽ More Recent numerical and theoretical studies on the two-dimensional $J$-$Q_3$ model suggests that the deconfined quantum critical point is actually a $SO(5)$-symmetry-enhanced first-order phase transition that is spontaneously broken to $O(4)$. However, this conclusion has mainly relied on finite-size scaling of the entanglement entropy, lacking direct evidence from physical observables.} Here, we investigate the dynamical spectra of spin and bond operators at the deconfined critical point of the $J$-$Q_3$ model using large-scale quantum Monte Carlo simulations, and contrasting them with the well-established $\mathrm{O(3)}$ Wilson-Fisher criticality in the $J_1$-$J_2$ Heisenberg model. Although both models exhibit two gapless magnon modes in the Néel phase, their critical behaviors diverge strikingly. At the $J_1$-$J_2$ critical point, the Higgs mode becomes gapless, yielding three gapless modes that reflect the full restoration of the $\mathrm{O(3)}$ symmetry. {In the $J$-$Q_3$ model, we instead observe four gapless transverse modes at the either side of the transition. This spectral feature, together with the entanglement entropy results, provides direct evidence for the weakly first-order scenario that the deconfined quantum critical point exhibits an emergent $\mathrm{SO(5)}$ symmetry that spontaneously breaks to $\mathrm{O(4)}$. △ Less

Submitted 12 December, 2025; originally announced December 2025.

Comments: 7 pages,4 figures

Performance and reliability potential of Bi$_2$O$_2$Se/Bi$_2$SeO$_5$ transistors

Authors: Mohammad Rasool Davoudi, Mina Bahrami, Axel Verdianu, Pedram Khakbaz, Dominic Waldhoer, Mahdi Pourfath, Alexander Karl, Christoph Wilhelmer, Yichi Zhang, Junchuan Tang, Aftab Nazir, Ye Li, Xiaoying Gao, Congwei Tan, Yu Zhang, Changze Liu, Hailin Peng, Theresia Knobloch, Tibor Grasser

Abstract: While 2D materials have enormous potential for future device technologies, many challenges must be overcome before they can be deployed at an industrial scale. One of these challenges is identifying the right semiconductor/insulator combination that ensures high performance, stability, and reliability. In contrast to conventional 2D interfaces, which suffer from van der Waals gaps or covalent bond… ▽ More While 2D materials have enormous potential for future device technologies, many challenges must be overcome before they can be deployed at an industrial scale. One of these challenges is identifying the right semiconductor/insulator combination that ensures high performance, stability, and reliability. In contrast to conventional 2D interfaces, which suffer from van der Waals gaps or covalent bonding issues, zippered structures such as the high-mobility 2D semiconductor Bi$_2$O$_2$Se and its native high-$κ$ oxide Bi$_2$SeO$_5$ offer high-quality interfaces, good scalability, and excellent device performance. While most prior work has focused mainly on basic device behavior, here we also thoroughly assess the stability and reliability of this material system using a multiscale approach that integrates electrical characterization, density functional theory, and TCAD simulations, linking atomistic states to device-scale reliability. By analyzing four transistor design generations (top-gated, fin, and two gate-all-around FETs), we provide realistic predictions for how this system performs at the ultimate scaling limit. We identify oxygen-related defects in the oxide as the main contributors to hysteresis and recoverable threshold shifts, and we propose mitigation strategies through encapsulation or oxygen-rich annealing. Benchmarking the extracted material parameters against IRDS 2037 requirements, we demonstrate that Bi$_2$O$_2$Se/Bi$_2$SeO$_5$ transistors can achieve high drain and low gate currents at ultra-scaled conditions. These findings position this material system as a technologically credible and manufacturing-relevant pathway for future nanoelectronics. △ Less

Submitted 11 December, 2025; originally announced December 2025.

F2: Offline Reinforcement Learning for Hamiltonian Simulation via Free-Fermionic Subroutine Compilation

Authors: Ethan Decker, Christopher Watson, Junyu Zhou, Yuhao Liu, Chenxu Liu, Ang Li, Gushu Li, Samuel Stein

Abstract: Compiling shallow and accurate quantum circuits for Hamiltonian simulation remains challenging due to hardware constraints and the combinatorial complexity of minimizing gate count and circuit depth. Existing optimization method pipelines rely on hand-engineered classical heuristics, which cannot learn input-dependent structure and therefore miss substantial opportunities for circuit reduction.… ▽ More Compiling shallow and accurate quantum circuits for Hamiltonian simulation remains challenging due to hardware constraints and the combinatorial complexity of minimizing gate count and circuit depth. Existing optimization method pipelines rely on hand-engineered classical heuristics, which cannot learn input-dependent structure and therefore miss substantial opportunities for circuit reduction. We introduce F2, an offline reinforcement learning framework that exploits free-fermionic structure to efficiently compile Trotter-based Hamiltonian simulation circuits. F2 provides (i) a reinforcement-learning environment over classically simulatable free-fermionic subroutines, (ii) architectural and objective-level inductive biases that stabilize long-horizon value learning, and (iii) a reversible synthetic-trajectory generation mechanism that consistently yields abundant, guaranteed-successful offline data. Across benchmarks spanning lattice models, protein fragments, and crystalline materials (12-222 qubits), F2 reduces gate count by 47% and depth by 38% on average relative to strong baselines (Qiskit, Cirq/OpenFermion) while maintaining average errors of 10^(-7). These results show that aligning deep reinforcement learning with the algebraic structure of quantum dynamics enables substantial improvements in circuit synthesis, suggesting a promising direction for scalable, learning-based quantum compilation △ Less

Submitted 10 December, 2025; v1 submitted 8 December, 2025; originally announced December 2025.

Boundary-Bulk Interplay in Nonlinear Topological Transport

Authors: Deyi Zhuo, Xiaoda Liu, Huu-Thong Le, Annie G. Wang, Han Tay, Bomin Zhang, Ling-Jie Zhou, Binghai Yan, Chao-Xing Liu, Cui-Zu Chang

Abstract: Nonlinear transport has emerged as a powerful approach to probe the quantum geometry of electronic wavefunctions, such as Berry curvature and quantum metric, in topological materials. While nonlinear responses governed by bulk quantum geometry and band topology are well understood, the role of boundary modes (e.g., edge, surface, and hinge states) in nonlinear transport of topological materials re… ▽ More Nonlinear transport has emerged as a powerful approach to probe the quantum geometry of electronic wavefunctions, such as Berry curvature and quantum metric, in topological materials. While nonlinear responses governed by bulk quantum geometry and band topology are well understood, the role of boundary modes (e.g., edge, surface, and hinge states) in nonlinear transport of topological materials remains largely unexplored. In this work, we demonstrate boundary-bulk interplay in nonlinear transport, including second-harmonic Hall and nonreciprocal longitudinal responses, in molecular beam epitaxy-grown magnetic topological insulator heterostructures. We find that the nonlinear transport is maximized when the sample is tuned slightly away from the well-quantized states, including the quantum anomalous Hall and axion insulator states. The sign and amplitude of the nonlinear transport depend on electrode configuration, magnetic order, and carrier type, establishing boundary mode transport as the dominant contributor. These findings, supported by symmetry analysis and nonlinear Landauer-Büttiker formalism, demonstrate that nonlinear transport in topological materials is governed by the interplay between boundary and bulk states. We further derive a universal relation between different lead voltages from electrode geometry symmetry, which allows us to distinguish nonlinear boundary transport from bulk contributions. Our work highlights the critical role of electrodes in nonlinear transport, which is absent in nonlinear optics, and establishes boundary modes as a key origin of the giant nonlinear response in nearly bulk-insulating topological materials. This insight opens new opportunities for engineering nonlinear transport through boundary-bulk interplay in future device applications of topological materials. △ Less

Submitted 7 December, 2025; originally announced December 2025.

Comments: 38 pages, 4 figures and 10 extended data figures

OXtal: An All-Atom Diffusion Model for Organic Crystal Structure Prediction

Authors: Emily Jin, Andrei Cristian Nica, Mikhail Galkin, Jarrid Rector-Brooks, Kin Long Kelvin Lee, Santiago Miret, Frances H. Arnold, Michael Bronstein, Avishek Joey Bose, Alexander Tong, Cheng-Hao Liu

Abstract: Accurately predicting experimentally-realizable 3D molecular crystal structures from their 2D chemical graphs is a long-standing open challenge in computational chemistry called crystal structure prediction (CSP). Efficiently solving this problem has implications ranging from pharmaceuticals to organic semiconductors, as crystal packing directly governs the physical and chemical properties of orga… ▽ More Accurately predicting experimentally-realizable 3D molecular crystal structures from their 2D chemical graphs is a long-standing open challenge in computational chemistry called crystal structure prediction (CSP). Efficiently solving this problem has implications ranging from pharmaceuticals to organic semiconductors, as crystal packing directly governs the physical and chemical properties of organic solids. In this paper, we introduce OXtal, a large-scale 100M parameter all-atom diffusion model that directly learns the conditional joint distribution over intramolecular conformations and periodic packing. To efficiently scale OXtal, we abandon explicit equivariant architectures imposing inductive bias arising from crystal symmetries in favor of data augmentation strategies. We further propose a novel crystallization-inspired lattice-free training scheme, Stoichiometric Stochastic Shell Sampling ($S^4$), that efficiently captures long-range interactions while sidestepping explicit lattice parametrization -- thus enabling more scalable architectural choices at all-atom resolution. By leveraging a large dataset of 600K experimentally validated crystal structures (including rigid and flexible molecules, co-crystals, and solvates), OXtal achieves orders-of-magnitude improvements over prior ab initio machine learning CSP methods, while remaining orders of magnitude cheaper than traditional quantum-chemical approaches. Specifically, OXtal recovers experimental structures with conformer $\text{RMSD}_1<0.5$ Å and attains over 80\% packing similarity rate, demonstrating its ability to model both thermodynamic and kinetic regularities of molecular crystallization. △ Less

Submitted 7 December, 2025; originally announced December 2025.

Unconventional Magneto-Optical Effects in Altermagnets

Authors: Yongpan Li, Yichen Liu, Cheng-Cheng Liu

Abstract: The ideal altermagnets are a class of collinear, crystal-symmetry-enforced fully compensated magnets with nonrelativistic spin-split bands, in which contributions from Berry curvature to magneto-optical effects (MOEs) are strictly forbidden by an effective time-reversal symmetry. Here we show that, in such systems, MOEs are exclusively induced by the quantum metric and, in realistic altermagnets,… ▽ More The ideal altermagnets are a class of collinear, crystal-symmetry-enforced fully compensated magnets with nonrelativistic spin-split bands, in which contributions from Berry curvature to magneto-optical effects (MOEs) are strictly forbidden by an effective time-reversal symmetry. Here we show that, in such systems, MOEs are exclusively induced by the quantum metric and, in realistic altermagnets, are typically dominated by it. We refer to Berry-curvature-induced MOEs as conventional MOEs and to quantum-metric-dominated MOEs as unconventional MOEs. We derive general formulas that incorporate both Berry curvature and quantum metric for unconventional MOEs in altermagnets, enabling a quantitative evaluation of their respective contributions. Through symmetry analysis, we prove that ideal altermagnets are constrained to exhibit only unconventional MOEs. Using the three-dimensional canonical altermagnet MnTe and the emerging two-dimensional bilayer twisted altermagnet CrSBr as illustrative examples, we demonstrate that unconventional MOEs are prevalent in altermagnets. Our results establish altermagnets as a natural platform for quantum-metric-driven optical phenomena, substantially broadening the scope of MOEs and providing concrete predictions that can be tested in future experimental studies. △ Less

Submitted 2 December, 2025; originally announced December 2025.

Observation of hidden altermagnetism in Cs$_{1-δ}$V$_2$Te$_2$O

Authors: Guowei Yang, Ruihan Chen, Changchao Liu, Jing Li, Ze Pan, Liwei Deng, Naifu Zheng, Yu Tang, Hao Zheng, Weifan Zhu, Yifu Xu, Xin Ma, Xiaoping Wang, Shengtao Cui, Zhe Sun, Zhengtai Liu, Mao Ye, Chao Cao, Ming Shi, Lunhui Hu, Qihang Liu, Shan Qiao, Guanghan Cao, Yu Song, Yang Liu

Abstract: Altermagnets are characterized by anisotropic band/spin splittings in momentum space, dictated by their spin-space group symmetries. However, the real-space modulations of altermagnetism are often neglected and have not been explored experimentally. Here we combine neutron diffraction, angle-resolved photoemission spectroscopy (ARPES), spin-resolved ARPES and density functional theory to demonstra… ▽ More Altermagnets are characterized by anisotropic band/spin splittings in momentum space, dictated by their spin-space group symmetries. However, the real-space modulations of altermagnetism are often neglected and have not been explored experimentally. Here we combine neutron diffraction, angle-resolved photoemission spectroscopy (ARPES), spin-resolved ARPES and density functional theory to demonstrate that Cs$_{1-δ}$V$_2$Te$_2$O realizes a spatially modulated form of altermagnetism, i.e., hidden altermagnetism. Such a state in Cs$_{1-δ}$V$_2$Te$_2$O results from its G-type antiferromagnetism and two-dimensional electronic states, allowing for the development of spatially alternating altermagnetic layers, whose local spin polarizations are directly verified by spin-resolved ARPES measurements. Our experimental discovery of hidden altermagnetism broadens the scope of unconventional magnetism and opens routes to exploring emergent phenomena from real-space modulations of altermagnetic order. △ Less

Submitted 30 November, 2025; originally announced December 2025.

Comments: The manuscript contains 8 pages and 3 figures

Order-Disorder in Fe-Si Alloys: Implications for Seismic Anisotropy and Thermal Evolution of Earth's Inner Core

Authors: Cong Liu, Xin Deng, R. E. Cohen

Abstract: Understanding the structure and dynamics of Earth's inner core is essential for constraining its composition, thermal evolution, and seismic properties. Silicon is a probable major component of Earth's core. Using first-principles molecular dynamics and thermodynamic modeling, we investigate the structural, elastic, and transport properties of Fe-Si alloys at high pressures and temperatures. By co… ▽ More Understanding the structure and dynamics of Earth's inner core is essential for constraining its composition, thermal evolution, and seismic properties. Silicon is a probable major component of Earth's core. Using first-principles molecular dynamics and thermodynamic modeling, we investigate the structural, elastic, and transport properties of Fe-Si alloys at high pressures and temperatures. By computing the Gibbs free energies of B2, hcp, fcc, and bcc solid solutions, we construct the Fe-Si phase diagram applicable to the Earth's inner core. Our results reveal a pronounced miscibility gap between hcp and B2 Fe-Si, with the two phases coexisting over the compositional range of 6-11 wt% Si at 6000 K. The B2 Fe-Si alloy exhibits strong single-crystal shear anisotropy (22.9% at 6000 K) compared to the nearly isotropic hcp phase (0.6%), and yields a shear wave velocity (3.73 km/s) and Poisson's ratio consistent with seismological observations. Moreover, the computed transport properties reveal substantially lower thermal conductivity of B2 Fe-Si relative to pure iron or hcp Fe-Si under inner-core conditions. These results imply that Earth's inner core likely comprises multiple phases, whose distribution and crystallographic texture critically influence its seismic and thermal properties. △ Less

Submitted 28 November, 2025; originally announced November 2025.

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Authors: Chen Chen, Yang Hang, Hui Shan Wang, Yang Wang, Xiujun Wang, Chengxin Jiang, Yu Feng, Chenxi Liu, Eli Janzen, James H. Edgar, Zhipeng Wei, Wanlin Guo, Weida Hu, Zhuhua Zhang, Haomin Wang, Xiaoming Xie

Abstract: Different from hexagonal boron nitride (hBN) sheets, the bandgap of hBN nanoribbons (BNNRs) can be changed by spatial/electrostatic confinement. It has been predicted that a transverse electric field can narrow the bandgap and even cause an insulator-metal transition in BNNRs. However, experimentally introducing an overhigh electric field across the BNNR remains challenging. Here, we theoretically… ▽ More Different from hexagonal boron nitride (hBN) sheets, the bandgap of hBN nanoribbons (BNNRs) can be changed by spatial/electrostatic confinement. It has been predicted that a transverse electric field can narrow the bandgap and even cause an insulator-metal transition in BNNRs. However, experimentally introducing an overhigh electric field across the BNNR remains challenging. Here, we theoretically and experimentally demonstrate that water adsorption greatly reduces bandgap of zigzag oriented BNNRs (zBNNRs). Ab initio calculations show that water adsorbed beside the BNNR induces a transverse equivalent electric field of over 2 V/nm thereby reducing its bandgap. Field effect transistors were successfully fabricated from zBNNRs with different widths. The conductance of zBNNRs with adsorbates of water could be tuned over 3 orders in magnitude via electrical field modulation at room temperature. Furthermore, photocurrent response measurements were taken to determine the optical bandgap in zBNNR. Wider zBNNRs exhibit a bandgap down to 1.17 eV. This study yields fundamental insights in new routes toward realizing electronic/optoelectronic devices and circuits based on hexagonal boron nitride. △ Less

Submitted 24 November, 2025; originally announced November 2025.

Comments: 32 pages, 4 figures

Journal ref: Adv. Mater. 2303198,2023

Pronounced scale-dependent charge carrier density in graphene quantum Hall devices

Authors: Ziqiang Kong, Yu Feng, Han Gao, Ru Sun, Jian Feng, Chengxin Jiang, Chenxi Liu, Huishan Wang, Yu Zhang, Junchi Song, Xuanzheng Hao, Ziceng Zhang, Yuteng Ma, Shengda Gao, Ren Zhu, Qandeel Noor, Ghulam Ali, Yumeng Yang, Guanghui Yu, Shujie Tang, Zhongkai Liu, Haomin Wang

Abstract: The miniaturization of quantum Hall resistance standards (QHRS) using epitaxial graphene on silicon carbide necessitates understanding how device dimensions impact performance. This study reveals a pronounced scale-dependent carrier density in graphene Hall devices: under electron doping, carrier density decreases with increasing channel width (Wd), while the opposite occurs under hole doping. Thi… ▽ More The miniaturization of quantum Hall resistance standards (QHRS) using epitaxial graphene on silicon carbide necessitates understanding how device dimensions impact performance. This study reveals a pronounced scale-dependent carrier density in graphene Hall devices: under electron doping, carrier density decreases with increasing channel width (Wd), while the opposite occurs under hole doping. This phenomenon, most significant for Wd less than 400 um, directly influences the onset of magnetic field required for quantization. Fermi velocity measurements and angle-resolved photoemission spectroscopy (ARPES) analysis indicate that band structure modifications and electron-electron interactions underlie this size dependence. Utilizing machine learning with limited data, we optimized the device geometry, identifying a channel width of ~360 um as the optimal balance between resistance uncertainty and on-chip integration density. This work provides key insights for designing high-performance, miniaturized graphene-based QHRS arrays. △ Less

Submitted 24 November, 2025; originally announced November 2025.

Comments: 49page, 5figures

Journal ref: Materials Today Physics,Volume 59, 101928, December 2025

Topological BF Theory construction of twisted dihedral quantum double phases from spontaneous symmetry breaking

Authors: Zhi-Qiang Gao, Chunxiao Liu, Joel E. Moore

Abstract: Nonabelian topological orders host exotic anyons central to quantum computing, yet established realizations rely on case-by-case constructions that are often conceptually involved. In this work, we present a systematic construction of nonabelian dihedral quantum double phases based on a continuous $O(2)$ gauge field. We first formulate a topological $S[O(2)\times O(2)]$ BF theory, and by identifyi… ▽ More Nonabelian topological orders host exotic anyons central to quantum computing, yet established realizations rely on case-by-case constructions that are often conceptually involved. In this work, we present a systematic construction of nonabelian dihedral quantum double phases based on a continuous $O(2)$ gauge field. We first formulate a topological $S[O(2)\times O(2)]$ BF theory, and by identifying the Wilson loops and twist operators of this theory with anyons, we show that our topological BF theory reproduces the complete anyon data, and can incorporate all Dijkgraaf--Witten twists. Building on this correspondence, we present a microscopic model with $O(2)$ lattice gauge field coupled to Ising and rotor matter whose Higgsing yields the desired dihedral quantum double phase. A perturbative renormalization group analysis further indicates a direct transition from this phase to a $U(1)$ Coulomb or chiral topological phase at a stable multicritical point with emergent $O(3)$ symmetry. Our proposal offers an alternative route to nonabelian topological order with promising prospects in synthetic gauge field platforms. △ Less

Submitted 24 November, 2025; originally announced November 2025.

Comments: 4.5+10 pages, 2+3 figures

Coexistence of unconventional spin-orbit torque and in-plane Hall effect in a single ferromagnetic layer

Authors: Jiaxin Chen, Hongsheng Zheng, Hongliang Chen, Qia Shen, Chang Pan, Zhenyi Zheng, Hemian Yi, Dandan Guan, Xiaoxue Liu, Yaoyi Li, Shiyong Wang, Hao Zheng, Canhua Liu, Jinfeng Jia, Jingsheng Chen, Ruidan Zhong, Lei Wang, Xuepeng Qiu, Yumeng Yang, Aurélien Manchon, Liang Liu

Abstract: The symmetry of a material fundamentally governs its spin transport properties. While unconventional spin transport phenomena have been predominantly explored in low-symmetry systems (e.g., $C_{1v}$ symmetry), high-symmetry crystals--which constitute the majority of industry-compatible materials--are generally expected to exhibit only conventional spin-transport behavior. Here, we report the coexi… ▽ More The symmetry of a material fundamentally governs its spin transport properties. While unconventional spin transport phenomena have been predominantly explored in low-symmetry systems (e.g., $C_{1v}$ symmetry), high-symmetry crystals--which constitute the majority of industry-compatible materials--are generally expected to exhibit only conventional spin-transport behavior. Here, we report the coexistence of two unconventional spin transport effects, the crystal spin-orbit torque (CSOT) and the crystal in-plane Hall effect (CIHE), in a CoPt single ferromagnetic layer with $C_{3v}$ symmetry. Leveraging the CSOT, we achieve nearly 100% field-free perpendicular magnetization switching in a 6 nm CoPt layer at room temperature. Simultaneously, the CIHE observed in this material exhibits nearly identical dependencies on both current angle and growth temperature as the CSOT. Symmetry analysis confirms that both effects share a common physical origin. Our work not only establishes CoPt as a high-performance spin-orbit material, but also demonstrates that unconventional spin transport can be realized in high-symmetry systems, thereby opening a broad pathway for their application in practical spintronics. △ Less

Submitted 21 November, 2025; originally announced November 2025.

Signatures of magnetism in zigzag graphene nanoribbon embedded in h-BN lattice

Authors: Chengxin Jiang, Hui Shan Wang, Chen Chen, Lingxiu Chen, Xiujun Wang, Yibo Wang, Ziqiang Kong, Yuhan Feng, Yixin Liu, Yu Feng, Chenxi Liu, Yu Zhang, Zhipeng Wei, Maosen Guo, Aomei Tong, Gang Mu, Yumeng Yang, Kenji Watanabe, Takashi Taniguchi, Wangzhou Shi, Haomin Wang

Abstract: Zigzag edges of graphene have long been predicted to exhibit magnetic electronic state near the Fermi level, which can cause spin-related phenomena and offer unique potentials for graphene-based spintronics. However, the magnetic conduction channels along these edges have yet been reported experimentally. Here, we report the observation on signatures of magnetism in zigzag graphene nanoribbons (zG… ▽ More Zigzag edges of graphene have long been predicted to exhibit magnetic electronic state near the Fermi level, which can cause spin-related phenomena and offer unique potentials for graphene-based spintronics. However, the magnetic conduction channels along these edges have yet been reported experimentally. Here, we report the observation on signatures of magnetism in zigzag graphene nanoribbons (zGNRs) embedded in hexagonal boron nitride (h-BN). The in-plane bonding with BN can stabilize the edges of zGNRs, and thus enable a direct probing of the intrinsic magnetism. Firstly, the presence of magnetism of a zGNR was confirmed by scanning NV center microscopy. And then, zGNR was fabricated into a transistor with a width of ~9 nm wide and a channel length of sub-50 nm. By performing magneto-transport measurements, Fabry-Pérot interference patterns were observed in the transistor at 4 Kelvin, which indicates a coherent transport through the channel. A large magnetoresistance of ~175 Ω, corresponding to a ratio of ~1.3 %, was observed at the same temperature. More importantly, such magneto-transport signal is highly anisotropic on the magnetic field direction, and its appearance extends well above room temperature. All these evidences corroborate the existence of robust magnetic ordering in the edge state of zGNR. The findings on zGNR embedded in h-BN provide an effective platform for the future exploration of graphene-based spintronic devices. △ Less

Submitted 17 November, 2025; originally announced November 2025.

Comments: 30 pages, 17 figures

Journal ref: Nature Materials 24,15921-599(2025)

Topological flowscape reveals state transitions in nonreciprocal living matter

Authors: Hyunseok Lee, EliseAnne Koskelo, Shreyas Gokhale, Junang Li, Chenyi Fei, Chih-Wei Joshua Liu, Lisa Lin, Jorn Dunkel, Dominic J. Skinner, Nikta Fakhri

Abstract: Nonreciprocal interactions-- where forces between entities are asymmetric-- govern a wide range of nonequilibrium phenomena, yet their role in structural transitions in living and active systems remains elusive. Here, we demonstrate a transition between nonreciprocal states using starfish embryos at different stages of development, where interactions are inherently asymmetric and tunable. Experime… ▽ More Nonreciprocal interactions-- where forces between entities are asymmetric-- govern a wide range of nonequilibrium phenomena, yet their role in structural transitions in living and active systems remains elusive. Here, we demonstrate a transition between nonreciprocal states using starfish embryos at different stages of development, where interactions are inherently asymmetric and tunable. Experiments, interaction inference, and topological analysis yield a nonreciprocal state diagram spanning crystalline, flocking, and fragmented states, revealing that weak nonreciprocity promotes structural order while stronger asymmetry disrupts it. To capture these transitions, we introduce topological landscapes, mapping the distribution of structural motifs across state space. We further develop topological flowscapes, a dynamic framework that quantifies transitions between collective states and detects an informational rate shift from the experimental state transition. Together, these results establish a general approach for decoding nonequilibrium transitions and uncover how asymmetric interactions sculpt the dynamical and structural architecture of active and living matter. △ Less

Submitted 19 November, 2025; v1 submitted 14 November, 2025; originally announced November 2025.

Omics-scale polymer computational database transferable to real-world artificial intelligence applications

Authors: Ryo Yoshida, Yoshihiro Hayashi, Hidemine Furuya, Ryohei Hosoya, Kazuyoshi Kaneko, Hiroki Sugisawa, Yu Kaneko, Aiko Takahashi, Yoh Noguchi, Shun Nanjo, Keiko Shinoda, Tomu Hamakawa, Mitsuru Ohno, Takuya Kitamura, Misaki Yonekawa, Stephen Wu, Masato Ohnishi, Chang Liu, Teruki Tsurimoto, Arifin, Araki Wakiuchi, Kohei Noda, Junko Morikawa, Teruaki Hayakawa, Junichiro Shiomi , et al. (81 additional authors not shown)

Abstract: Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such as natural language processing, materials science, particularly polymer research, has significantly lagged in developing extensive open datasets. This lag is primarily due to the high costs of polymer synthesis and proper… ▽ More Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such as natural language processing, materials science, particularly polymer research, has significantly lagged in developing extensive open datasets. This lag is primarily due to the high costs of polymer synthesis and property measurements, along with the vastness and complexity of the chemical space. This study presents PolyOmics, an omics-scale computational database generated through fully automated molecular dynamics simulation pipelines that provide diverse physical properties for over $10^5$ polymeric materials. The PolyOmics database is collaboratively developed by approximately 260 researchers from 48 institutions to bridge the gap between academia and industry. Machine learning models pretrained on PolyOmics can be efficiently fine-tuned for a wide range of real-world downstream tasks, even when only limited experimental data are available. Notably, the generalisation capability of these simulation-to-real transfer models improve significantly as the size of the PolyOmics database increases, exhibiting power-law scaling. The emergence of scaling laws supports the "more is better" principle, highlighting the significance of ultralarge-scale computational materials data for improving real-world prediction performance. This unprecedented omics-scale database reveals vast unexplored regions of polymer materials, providing a foundation for AI-driven polymer science. △ Less

Submitted 7 November, 2025; originally announced November 2025.

Comments: 65 pages, 11 figures

Ripple-assisted adsorption of noble gases on graphene at room temperature

Authors: Weilin Liu, Xianlei Huang, Li-Guo Dou, Qianglong Fang, Ang Li, Guowen Yuan, Yongjie Xu, Zhenjia Zhou, Jun Li, Yu Jiang, Zichong Huang, Zihao Fu, Peng-Xiang Hou, Chang Liu, Jinlan Wang, Wu Zhou, Ming-Gang Ju, Shao-Chun Li, Hui-Ming Cheng, Libo Gao

Abstract: Controllable gas adsorption is critical for both scientific and industrial fields, and high-capacity adsorption of gases on solid surfaces provides a significant promise due to its high-safety and low-energy consumption. However, the adsorption of nonpolar gases, particularly noble gases, poses a considerable challenge under atmospheric pressure and room temperature (RT). Here, we theoretically si… ▽ More Controllable gas adsorption is critical for both scientific and industrial fields, and high-capacity adsorption of gases on solid surfaces provides a significant promise due to its high-safety and low-energy consumption. However, the adsorption of nonpolar gases, particularly noble gases, poses a considerable challenge under atmospheric pressure and room temperature (RT). Here, we theoretically simulate and experimentally realize the stable adsorption of noble gases like xenon (Xe), krypton (Kr), argon (Ar), and helium (He) on highly rippled graphene at RT. The elemental characteristics of adsorbed Xe are confirmed by electron energy loss spectroscopy and X-ray photoelectron spectroscopy. The adsorbed gas atoms are crystalized with periodic arrangements. These adsorbed noble gases on graphene exhibit high stability at RT and can be completely desorbed at approximately 350 °C without damaging the intrinsic lattice of graphene. The structural and physical properties of graphene are significantly influenced by the adsorbed gas, and they fully recover after desorption. Additionally, this controllable adsorption could be generalized to other layered adsorbents such as NbSe2, MoS2 and carbon nanotubes. We anticipate that this ripple-assisted adsorption will not only re-define the theoretical framework of gas adsorption, but also accelerate advancements in gas storage and separation technologies, as well as enhance the applications in catalysis, surface modification, and other related fields. △ Less

Submitted 13 November, 2025; originally announced November 2025.

Physical properties and first-principles calculations of an altermagnet candidate Cs$_{1-δ}$V$_2$Te$_2$O

Authors: Chang-Chao Liu, Jing Li, Ji-Yong Liu, Jia-Yi Lu, Hua-Xun Li, Yi Liu, Guang-Han Cao

Abstract: We report the crystal growth, structure, physical properties, and first-principles calculations of a vanadium-based oxytelluride Cs$_{1-δ}$V$_2$Te$_2$O. The material possesses two-dimensional V$_2$O square nets sandwiched by tellurium layers, with local crystallographic symmetry satisfying the spin symmetry for a $d$-wave altermagnet. An antiferromagnetic transition at 293 K is unambiguously evide… ▽ More We report the crystal growth, structure, physical properties, and first-principles calculations of a vanadium-based oxytelluride Cs$_{1-δ}$V$_2$Te$_2$O. The material possesses two-dimensional V$_2$O square nets sandwiched by tellurium layers, with local crystallographic symmetry satisfying the spin symmetry for a $d$-wave altermagnet. An antiferromagnetic transition at 293 K is unambiguously evidenced from the measurements of magnetic susceptibility and specific heat. In addition, a secondary transition at $\sim$70 K is also observed, possibly associated with a Lifshitz transition. The first-principles calculations indicate robust Néel-type collinear antiferromagnetism in the V$_2$O plane. Consequently, spin splittings show up in momentum space, in relation with the real-space mirror/rotation symmetry. Interestingly, the V-$d_{yz}/d_{xz}$ electrons, which primarily contribute the quasi-one-dimensional Fermi surface, turns out to be fully orbital- and spin-polarized, akin to the case of a half metal. Our work lays a solid foundation on the potential applications utilizing altermagnetic properties in vanadium-based oxychalcogenides. △ Less

Submitted 10 November, 2025; originally announced November 2025.

Comments: 10 pages, 7 figures, and 2 tables

Pair-mixing induced Time-reversal-breaking superconductivity

Authors: Saswata Mandal, Chao-Xing Liu

Abstract: Experimental evidences of spontaneous time-reversal (TR) symmetry breaking have been reported for the superconducting ground state in the transition metal dichalcogenide (TMD) superconductor 4H$_b$-TaS$_2$ or chiral molecule intercalated TaS$_2$ hybrid superlattices, and is regarded as evidence of emergent chiral superconductivity. However, the $T_c$ of these TMD superconductors is of the same ord… ▽ More Experimental evidences of spontaneous time-reversal (TR) symmetry breaking have been reported for the superconducting ground state in the transition metal dichalcogenide (TMD) superconductor 4H$_b$-TaS$_2$ or chiral molecule intercalated TaS$_2$ hybrid superlattices, and is regarded as evidence of emergent chiral superconductivity. However, the $T_c$ of these TMD superconductors is of the same order as pristine 1H or 2H-TaS$_2$, which do not show any signature of TR breaking and are believed to be conventional Bardeen-Cooper-Schrieffer superconductors. To resolve this puzzle, we propose a new type of pair-mixing state that mixes the dominant conventional s-wave pairing channel with the subdominant chiral p-wave pairing channel via a finite Cooper-pair momentum, based on symmetry analysis within the Ginzburg-Landau theory. Our analysis shows that the fourth-order terms in the chiral p-wave channel can lead to a variety of pair-mixing states with spontaneous TR breaking. These TR-breaking superconducting states also reveal a zero-field, junction-free superconducting diode effect that is observed in chiral molecule intercalated TaS$_2$ superlattices. △ Less

Submitted 17 November, 2025; v1 submitted 6 November, 2025; originally announced November 2025.

Comments: 42 pages, 7 figures

Nonequilibrium dynamics of membraneless active droplets

Authors: Chenxi Liu, Ding Cao, Siyu Liu, Yilin Wu

Abstract: Membraneless droplets or liquid condensates formed via liquid-liquid phase separation (LLPS) play a pivotal role in cell biology and hold potential for biomedical engineering. While membraneless droplets are often studied in the context of interactions between passive components, it is increasingly recognized that active matter inclusions, such as molecular motors and catalytic enzymes in cells, p… ▽ More Membraneless droplets or liquid condensates formed via liquid-liquid phase separation (LLPS) play a pivotal role in cell biology and hold potential for biomedical engineering. While membraneless droplets are often studied in the context of interactions between passive components, it is increasingly recognized that active matter inclusions, such as molecular motors and catalytic enzymes in cells, play important roles in the formation, transport and interaction of membraneless droplets. Here we developed a bacteria-polymer active phase separation system to study the nonequilibrium effect of active matter inclusions on the LLPS dynamics. We found that the presence of bacterial active matter accelerated the initial condensation of phase-separated liquid droplets but subsequently arrested the droplet coarsening process, resulting in a stable suspension of membraneless active droplets packed with motile bacterial cells. The arrested phase separation of the bacterial active droplet system presumably arises from anti-phase entrainment of interface fluctuations between neighboring droplets, which reduces the frequency of inter-droplet contact and suppresses droplet coarsening. In addition, the active stresses generated by cells within the droplets give rise to an array of nonequilibrium phenomena, such as dominant long-wavelength fluctuations and enhanced droplet transport with short-term persistent motion due to spontaneous symmetry breaking. Our study reveals a unique mechanism for arrested phase separation and long-term stability in membraneless droplet systems. The bacteria-polymer active phase separation system opens a new avenue for studying the dynamics of membraneless active droplets relevant to non-equilibrium LLPS in cells and in biomedical engineering applications. △ Less

Submitted 6 November, 2025; originally announced November 2025.

Topological transition and emergent elasticity of dislocation in skyrmion lattice: Beyond Kittel's magnetic-polar analogy

Authors: Kohta Kasai, Akihiro Uematsu, Tatsuki Kawakane, Yu Wang, Tao Xu, Chang Liu, Susumu Minami, Takahiro Shimada

Abstract: Magnetic and polar skyrmions exhibit topologically protected quasiparticle behavior, including emergent fields, deformation, and the formation of a densely packed skyrmion lattice, beyond conventional domain configurations described by Kittel's law. Analogous to atomic crystals, lattice defects, especially dislocations and their associated strain fields, are crucial for understanding the lattice b… ▽ More Magnetic and polar skyrmions exhibit topologically protected quasiparticle behavior, including emergent fields, deformation, and the formation of a densely packed skyrmion lattice, beyond conventional domain configurations described by Kittel's law. Analogous to atomic crystals, lattice defects, especially dislocations and their associated strain fields, are crucial for understanding the lattice behavior of skyrmions; however, their features and roles remain insufficiently understood. Here, we show that magnetic skyrmion dislocations develop a core-split structure due to a significant skyrmion elongation up to 180% of their original length, reaching a topological transition from a single skyrmion to two half-skyrmions. Despite such a distinct structure, the long-range strain fields around the dislocation perfectly obey conventional Volterra's elasticity theory, in contrast to polar skyrmion lattices, where skyrmion deformations cause a breakdown of the elasticity theory. Furthermore, an energetic analysis shows that Dzyaloshinskii-Moriya interaction drives the large skyrmion deformation of the dislocation core. Our findings not only clarify the coexistence of topological core-reconstruction and a robust long-range elastic field of dislocations in magnetic skyrmion lattices, but also reveal that magnetic and electric domains, long regarded as dual and analogous, exhibit fundamental differences when extended into the regime of collective topological quasiparticles. △ Less

Submitted 5 November, 2025; originally announced November 2025.

Comments: 24 pages, 5 figures

Non-altermagnetic spin texture in MnTe

Authors: Meng Zeng, Pengfei Liu, Ming-Yuan Zhu, Naifu Zheng, Xiang-Rui Liu, Yu-Peng Zhu, Tian-Hao Shao, Yu-Jie Hao, Xiao-Ming Ma, Gexing Qu, Rafał Kurleto, Dawid Wutke, Rong-Hao Luo, Yue Dai, Xiaoqian Zhang, Koji Miyamoto, Kenya Shimada, Taichi Okuda, Kiyohisa Tanaka, Yaobo Huang, Qihang Liu, Chang Liu

Abstract: Recently, altermagnets have emerged as promising candidates in spintronics, uniquely combining large spin-polarized electronic states with zero net magnetization. A prominent example is $α$-MnTe, whose altermagnetic spin splitting, i.e., the degeneracy lift in momentum space induced by collinear magnetic order, has been experimentally observed. However, the direct evidence of its $g$-wave spin pol… ▽ More Recently, altermagnets have emerged as promising candidates in spintronics, uniquely combining large spin-polarized electronic states with zero net magnetization. A prominent example is $α$-MnTe, whose altermagnetic spin splitting, i.e., the degeneracy lift in momentum space induced by collinear magnetic order, has been experimentally observed. However, the direct evidence of its $g$-wave spin polarization, the key property for altermagnetic spintronics, is thus far lacking. By combining high-resolution spin- and angle-resolved photoemission spectroscopy (SARPES) with first-principles calculations, we reveal a $k_z$-independent, Rashba-like spin texture in $α$-MnTe. Our results indicate that the observed spin polarization is primarily governed by spin-orbit coupling, whereas the magnetic order contributes to the splitting of energy bands but plays a much less dominant role in spin polarization due to the multi-domain nature. From this result, we further establish a way to prescreen altermagnet candidates that favor the formation of large antiferromagnetic domains based on symmetry analysis. Our work elucidates the interplay between magnetic order and spin-orbit coupling in governing spin polarization in altermagnet candidates, and thereby advances the materials design paradigm for spin-functional devices. △ Less

Submitted 4 November, 2025; originally announced November 2025.

Comments: 19 pages, 4 figures

Stabilization of Metallic, Excitonic Insulator, and Superionic Phases in Helium-Rare Gas Compounds at Sub-Terapascal Pressures

Authors: Cong Liu, Jordi Boronat, Claudio Cazorla

Abstract: Helium and rare gases (RG: Ne, Ar, Kr, Xe) are typically considered chemically inert, yet under the extreme pressures of planetary interiors they may form compounds with unexpected properties. Using crystal structure prediction and first-principles calculations, we mapped the phase diagram of binary He-RG systems up to $1$ TPa. We identify several previously unknown stoichiometric compounds that a… ▽ More Helium and rare gases (RG: Ne, Ar, Kr, Xe) are typically considered chemically inert, yet under the extreme pressures of planetary interiors they may form compounds with unexpected properties. Using crystal structure prediction and first-principles calculations, we mapped the phase diagram of binary He-RG systems up to $1$ TPa. We identify several previously unknown stoichiometric compounds that are both thermodynamically and vibrationally stable at sub-terapascal pressures, within the reach of modern high-pressure experiments. In particular, AHe$_{2}$ and AHe (A: Ar, Kr, Xe) adopt previously unreported orthorhombic, hexagonal and cubic phases that remain stable over wide pressure ranges. We further find that He-Xe systems host metallic and excitonic insulator phases at pressures nearly an order of magnitude lower than those required for pure helium, offering a pathway to realize these exotic quantum states experimentally. Finite-temperature simulations also reveal superionic He-Xe phases, in which helium ions diffuse either anisotropically or isotropically depending on the host lattice. These findings constitute the first prediction of helium-based systems that combine metallicity and superionicity, with profound implications for energy transport and planetary dynamo processes. Overall, our results demonstrate that mixing helium with heavier rare gases provides an effective strategy to stabilize metallic, excitonic insulator, and superionic phases at experimentally accessible pressures, opening new research directions for condensed matter physics and planetary science. △ Less

Submitted 30 October, 2025; originally announced October 2025.

Comments: 14 pages, 9 figures

Universal decay of (conditional) mutual information in gapped pure- and mixed-state quantum matter

Authors: Jinmin Yi, Kangle Li, Chuan Liu, Zixuan Li, Liujun Zou

Abstract: For spin and fermionic systems in any spatial dimension, we establish that the superpolynomial decay behavior of mutual information and conditional mutual information is a universal property of gapped pure- and mixed-state phases, i.e., all systems in such a phase possess this property if one system in this phase possesses this property. We further demonstrate that the (conditional) mutual informa… ▽ More For spin and fermionic systems in any spatial dimension, we establish that the superpolynomial decay behavior of mutual information and conditional mutual information is a universal property of gapped pure- and mixed-state phases, i.e., all systems in such a phase possess this property if one system in this phase possesses this property. We further demonstrate that the (conditional) mutual information indeed decays superpolynomially in a large class of phases, including chiral phases. As a byproduct, we sharpen the notion of mixed-state phases. △ Less

Submitted 4 November, 2025; v1 submitted 26 October, 2025; originally announced October 2025.

Comments: 7+17 pages, 3+3 figures

Coherence-induced deep thermalization transition in random permutation quantum dynamics

Authors: Chang Liu, Matteo Ippoliti, Wen Wei Ho

Abstract: We report a phase transition in the projected ensemble - the collection of post-measurement wavefunctions of a local subsystem obtained by measuring its complement. The transition emerges in systems undergoing random permutation dynamics, a type of quantum time evolution wherein computational basis states are shuffled without creating superpositions. It separates a phase exhibiting deep thermaliza… ▽ More We report a phase transition in the projected ensemble - the collection of post-measurement wavefunctions of a local subsystem obtained by measuring its complement. The transition emerges in systems undergoing random permutation dynamics, a type of quantum time evolution wherein computational basis states are shuffled without creating superpositions. It separates a phase exhibiting deep thermalization, where the projected ensemble is distributed over Hilbert space in a maximally entropic fashion (Haar-random), from a phase where it is minimally entropic ("classical bit-string ensemble"). Crucially, this deep thermalization transition is invisible to the subsystem's density matrix, which always exhibits thermalization to infinite-temperature across the phase diagram. Through a combination of analytical arguments and numerical simulations, we show that the transition is tuned by the total amount of coherence injected by the input state and the measurement basis, and is exhibited robustly across different microscopic models. Our findings represent a novel form of ergodicity-breaking universality in quantum many-body dynamics, characterized not by a failure of regular thermalization, but rather by a failure of deep thermalization. △ Less

Submitted 21 October, 2025; originally announced October 2025.

Comments: 8+19 pages

XDXD: End-to-end crystal structure determination with low resolution X-ray diffraction

Authors: Jiale Zhao, Cong Liu, Yuxuan Zhang, Chengyue Gong, Zhenyi Zhang, Shifeng Jin, Zhenyu Liu

Abstract: Determining crystal structures from X-ray diffraction data is fundamental across diverse scientific fields, yet remains a significant challenge when data is limited to low resolution. While recent deep learning models have made breakthroughs in solving the crystallographic phase problem, the resulting low-resolution electron density maps are often ambiguous and difficult to interpret. To overcome… ▽ More Determining crystal structures from X-ray diffraction data is fundamental across diverse scientific fields, yet remains a significant challenge when data is limited to low resolution. While recent deep learning models have made breakthroughs in solving the crystallographic phase problem, the resulting low-resolution electron density maps are often ambiguous and difficult to interpret. To overcome this critical bottleneck, we introduce XDXD, to our knowledge, the first end-to-end deep learning framework to determine a complete atomic model directly from low-resolution single-crystal X-ray diffraction data. Our diffusion-based generative model bypasses the need for manual map interpretation, producing chemically plausible crystal structures conditioned on the diffraction pattern. We demonstrate that XDXD achieves a 70.4\% match rate for structures with data limited to 2.0~Å resolution, with a root-mean-square error (RMSE) below 0.05. Evaluated on a benchmark of 24,000 experimental structures, our model proves to be robust and accurate. Furthermore, a case study on small peptides highlights the model's potential for extension to more complex systems, paving the way for automated structure solution in previously intractable cases. △ Less

Submitted 20 October, 2025; originally announced October 2025.

Stacking-tunable multiferroic states in bilayer ScI2

Authors: Yaxin Pan, Chongze Wang, Shuyuan Liu, Fengzhu Ren, Chang Liu, Bing Wang, Jun-Hyung Cho

Abstract: Two-dimensional(2D) multiferroic materials hold significant promise for advancing the miniaturization and integration of nanodevices. In this study, we demonstrate that 2D bilayer ScI2, which exhibits ferromagnetic(FM) ordering within each layer, enables the tuning of interlayer magnetic coupling, ferroelectricity, and valley polarization through interlayer sliding and rotation. Our first-principl… ▽ More Two-dimensional(2D) multiferroic materials hold significant promise for advancing the miniaturization and integration of nanodevices. In this study, we demonstrate that 2D bilayer ScI2, which exhibits ferromagnetic(FM) ordering within each layer, enables the tuning of interlayer magnetic coupling, ferroelectricity, and valley polarization through interlayer sliding and rotation. Our first-principles calculations show that the AA stacking configuration induces antiferromagnetic (AFM) interlayer coupling, while a 180 rotation of one layer (resulting in the antialigned AA stacking) leads to FM interlayer coupling. Moreover, the interlayer magnetic coupling can be switched between AFM and FM by translating the stacking configuration: FM in the aligned AB and BA configurations, and AFM in the antialigned AB and BA configurations. This switching behavior is driven by variations in superexchange interactions due to orbital hopping between layers. Notably, the aligned stacking exhibits ferroelectricity upon sliding, which is induced by interlayer orbital hybridization and the resulting asymmetric charge redistribution, with maximal ferroelectric behavior occurring at the AB and BA stacking configurations. Additionally, for the AB and BA stackings, spontaneous valley polarization emerges from the manipulation of the spin orientation toward the out-of-plane direction. This valley polarization arises due to inversion symmetry breaking, either through ferroelectricity (in the AB and BA stackings) or AFM interlayer coupling , in combination with spin-orbit coupling. These results highlight the intricate interplay between magnetism, ferroelectricity, and valley polarization in bilayer ScI2, with each property being tunable via stacking configuration. △ Less

Submitted 18 October, 2025; originally announced October 2025.

Comments: 7 figures

CoNi-MOF laccase-like nanozymes prepared by dielectric barrier discharge plasma for treatment of antibiotic pollution

Authors: Chao Liu, Yi Cao, Qi Xia, Amil Aligayev, Qing Huang

Abstract: Laccase is a natural green catalyst and utilized in pollution treatment. Nevertheless, its practical application is constrained by limitations including high cost, poor stability, and difficulties in recovery. Herein, with inspiration from catalytic mechanism of natural laccase, we designed and prepared a bimetallic metal-organic framework, namely, CoNi-MOF, using low-temperature plasma (LTP) tech… ▽ More Laccase is a natural green catalyst and utilized in pollution treatment. Nevertheless, its practical application is constrained by limitations including high cost, poor stability, and difficulties in recovery. Herein, with inspiration from catalytic mechanism of natural laccase, we designed and prepared a bimetallic metal-organic framework, namely, CoNi-MOF, using low-temperature plasma (LTP) technology. We employed dielectric barrier discharge (DBD) plasma to prepare CoNi-MOF, and by precisely modulating the N2/O2 gas ratio, we could modulate the distribution concentration of oxygen vacancies in CoNi-MOF. Experimental investigations and density functional theory (DFT) calculations elucidated that the critical role of the oxygen vacancies in enhancing the laccase-like activity, which promoted the activation of molecular oxygen (O2) for generation of reactive oxygen species (ROS). Compared to natural laccase, CoNi-MOF exhibited superior catalytic performance in the degradation of antibiotic tetracycline (TC), along with enhanced resistance to harsh environmental conditions, improved stability, and low biotoxicity. Notably, aeration increased the dissolved oxygen (DO) content, further improving the TC degradation efficiency. As such, this study not only proposes a facile and efficient low-temperature plasma technology for synthesizing high-performance laccase-like nanozymes but also provides a promising and environmentally friendly strategy for the remediation of antibiotic contamination in the environment. △ Less

Submitted 17 October, 2025; originally announced October 2025.

Two-Dimensional Altermagnetism in Epitaxial CrSb Ultrathin Films

Authors: Keren Li, Yuzhong Hu, Yue Li, Ruohang Xu, Heping Li, Kun Liu, Chen Liu, Jincheng Zhuang, Yee Sin Ang, Jiaou Wang, Haifeng Feng, Weichang Hao, Yi Du

Abstract: Altermagnets constitute an emerging class of collinear magnets that exhibit zero net magnetization yet host spin-split electronic bands arising from non-relativistic spin-space-group symmetries. Realization of altermagnetism in the two-dimensional (2D) limit remains an outstanding challenge because dimensional reduction suppresses kZ dispersion and destabilizes the symmetry operations essential fo… ▽ More Altermagnets constitute an emerging class of collinear magnets that exhibit zero net magnetization yet host spin-split electronic bands arising from non-relativistic spin-space-group symmetries. Realization of altermagnetism in the two-dimensional (2D) limit remains an outstanding challenge because dimensional reduction suppresses kZ dispersion and destabilizes the symmetry operations essential for spin compensation. Here, we demonstrate genuine 2D altermagnetism in epitaxial unit-cell-thin films of CrSb grown on Bi2Te3. It reveals a thickness-driven transition from a ferrimagnetic state in 1-unit-cell films to an altermagnetic state above a critical thickness of 7/4 unit cell. The transition originates from interfacial symmetry breaking at the Cr-terminated layer that induces local moment imbalance. With increasing thickness the key spin-space-group symmetries [C2||C6Zt] and [C2||MZ] restores, which leads to altermagnetism with zero net magnetization and momentum-dependent spin splitting. Our results provide the first experimental realization of altermagnetism in the 2D regime and establish a route for integrating stray-field-free spin order into nanoscale spintronic architectures. △ Less

Submitted 14 October, 2025; originally announced October 2025.

Optimal chemotactic navigation in disordered landscapes

Authors: Yang Bai, Caiyun He, Weirong Liu, Songtao Cheng, Pan Chu, Liang Luo, Chenli Liu, Xiongfei Fu

Abstract: Active navigation in disordered media depends on a biased random walk interacting with environmental constraints. Using E. coli chemotactic navigation in agar gels as a model system, we reveal a fundamental trade-off between diffusive exploration and chemotactic directional bias that dictates the optimal strategy for population range expansion. Counter-intuitively, evolution selects for shorter me… ▽ More Active navigation in disordered media depends on a biased random walk interacting with environmental constraints. Using E. coli chemotactic navigation in agar gels as a model system, we reveal a fundamental trade-off between diffusive exploration and chemotactic directional bias that dictates the optimal strategy for population range expansion. Counter-intuitively, evolution selects for shorter mean run times (τ_f) to achieve faster chemotactic migration in denser environments. Controlled experiments reveal a non-monotonic relationship between chemotactic navigation speed and τ_f, with the optimum shifting according to the density of physical traps in the gel. Single-cell analysis demonstrates that escape from these traps occurs independently of the tumbling mechanism, challenging the classical view that reorientation is essential for navigation in obstructed spaces. Based on these insights, we develop a minimal theoretical model showing that the optimal τ_f emerges from an antagonistic scaling: while the diffusion coefficient increases with τ_f, the chemotactic bias coefficient decreases with it. This work establishes a general principle for optimizing active transport through complex, disordered environments. △ Less

Submitted 22 December, 2025; v1 submitted 13 October, 2025; originally announced October 2025.

A ferroelectric junction transistor memory made from switchable van der Waals p-n heterojunctions

Authors: Baoyu Wang, Lingrui Zou, Tao Wang, Lijun Xu, Zexin Dong, Xin He, Shangui Lan, Yinchang Ma, Meng Tang, Maolin Chen, Chen Liu, Zhengdong Luo, Lijie Zhang, Zhenhua Wu, Yan Liu, Genquan Han, Bin Yu, Xixiang Zhang, Fei Xue, Kai Chang

Abstract: Van der Waals (vdW) p-n heterojunctions are important building blocks for advanced electronics and optoelectronics, in which high-quality heterojunctions essentially determine device performances or functionalities. Creating tunable depletion regions with substantially suppressed leakage currents presents huge challenges, but is crucial for heterojunction applications. Here, by using band-aligned… ▽ More Van der Waals (vdW) p-n heterojunctions are important building blocks for advanced electronics and optoelectronics, in which high-quality heterojunctions essentially determine device performances or functionalities. Creating tunable depletion regions with substantially suppressed leakage currents presents huge challenges, but is crucial for heterojunction applications. Here, by using band-aligned p-type SnSe and n-type ferroelectric α-In2Se3 as a model, we report near-ideal multifunctional vdW p-n heterojunctions with small reverse leakage currents (0.1 pA) and a desired diode ideality factor (1.95). We realize ferroelectric-tuned band alignment with a giant barrier modulation of 900 meV. Based on such tunable heterojunctions, we propose and demonstrate a fundamental different memory device termed ferroelectric junction field-effect transistor memory, which shows large memory windows (1.8 V), ultrafast speed (100 ns), high operation temperature (393 K), and low cycle-to-cycle variation (2 %). Additionally, the reliable synaptic characteristics of these memory devices promise low-power neuromorphic computing. Our work provides a new device platform with switchable memory heterojunctions, applicable to high performance brain-inspired electronics and optoelectronics. △ Less

Submitted 26 November, 2025; v1 submitted 12 October, 2025; originally announced October 2025.

Pareto-optimality of Majoranas in hybrid platforms

Authors: Juan Daniel Torres Luna, Sebastian Miles, A. Mert Bozkurt, Chun-Xiao Liu, Antonio L. R. Manesco, Anton R. Akhmerov, Michael Wimmer

Abstract: To observe Majorana bound states, and especially to use them as a qubit, requires careful optimization of competing quality metrics. We systematically compare Majorana quality in proximitized semiconductor nanowires and quantum dot chains. Using multi-objective optimization, we analyze the fundamental trade-offs between topological gap and localization length, two key metrics that determine MBS co… ▽ More To observe Majorana bound states, and especially to use them as a qubit, requires careful optimization of competing quality metrics. We systematically compare Majorana quality in proximitized semiconductor nanowires and quantum dot chains. Using multi-objective optimization, we analyze the fundamental trade-offs between topological gap and localization length, two key metrics that determine MBS coherence and operational fidelity. We demonstrate that these quantities cannot be simultaneously optimized in realistic models, creating Pareto frontiers that define the achievable parameter space. Our results show that QD chains achieve both comparable quality as nanowires and a regime with a much shorter localization length, making them particularly promising for near-term quantum computing applications where device length and disorder are limiting factors. △ Less

Submitted 8 October, 2025; originally announced October 2025.

Field-Theoretic Simulation of Dean-Kawasaki Dynamics for Interacting Particles

Authors: Jaehyeok Jin, Chen Liu, David R. Reichman

Abstract: The formulation of a fluctuating hydrodynamic theory for interacting particles is a crucial step in the theoretical description of liquids. The microscopic mappings proposed decades ago by Dean and Kawasaki have played a central role in the analytical treatment of such problems. However, the singular mathematical nature of the density distributions used in these derivations raises concerns about t… ▽ More The formulation of a fluctuating hydrodynamic theory for interacting particles is a crucial step in the theoretical description of liquids. The microscopic mappings proposed decades ago by Dean and Kawasaki have played a central role in the analytical treatment of such problems. However, the singular mathematical nature of the density distributions used in these derivations raises concerns about the validity and practical utility of the resulting stochastic partial differential equations, particularly for direct numerical simulations. Recent efforts have centered on establishing a rigorous coarse-graining procedure to regularize the effective Dean-Kawasaki equation. Building on this foundation, we numerically investigate weakly interacting fluids within such a regularized framework for the first time. Our work reveals, at the level of structural correlations, the effects of regularization on the Dean-Kawasaki formalism and paves the way for improved numerical approaches to simulate fluctuating hydrodynamics in liquids. △ Less

Submitted 6 October, 2025; originally announced October 2025.

Comments: 21 pages, 10 figures (Supplemental Material: 17 pages, 7 figures, 2 tables)

Probing the Critical Point (CritPt) of AI Reasoning: a Frontier Physics Research Benchmark

Authors: Minhui Zhu, Minyang Tian, Xiaocheng Yang, Tianci Zhou, Lifan Yuan, Penghao Zhu, Eli Chertkov, Shengyan Liu, Yufeng Du, Ziming Ji, Indranil Das, Junyi Cao, Yufeng Du, Jiabin Yu, Peixue Wu, Jinchen He, Yifan Su, Yikun Jiang, Yujie Zhang, Chang Liu, Ze-Min Huang, Weizhen Jia, Yunkai Wang, Farshid Jafarpour, Yong Zhao , et al. (39 additional authors not shown)

Abstract: While large language models (LLMs) with reasoning capabilities are progressing rapidly on high-school math competitions and coding, can they reason effectively through complex, open-ended challenges found in frontier physics research? And crucially, what kinds of reasoning tasks do physicists want LLMs to assist with? To address these questions, we present the CritPt (Complex Research using Integr… ▽ More While large language models (LLMs) with reasoning capabilities are progressing rapidly on high-school math competitions and coding, can they reason effectively through complex, open-ended challenges found in frontier physics research? And crucially, what kinds of reasoning tasks do physicists want LLMs to assist with? To address these questions, we present the CritPt (Complex Research using Integrated Thinking - Physics Test, pronounced "critical point"), the first benchmark designed to test LLMs on unpublished, research-level reasoning tasks that broadly covers modern physics research areas, including condensed matter, quantum physics, atomic, molecular & optical physics, astrophysics, high energy physics, mathematical physics, statistical physics, nuclear physics, nonlinear dynamics, fluid dynamics and biophysics. CritPt consists of 71 composite research challenges designed to simulate full-scale research projects at the entry level, which are also decomposed to 190 simpler checkpoint tasks for more fine-grained insights. All problems are newly created by 50+ active physics researchers based on their own research. Every problem is hand-curated to admit a guess-resistant and machine-verifiable answer and is evaluated by an automated grading pipeline heavily customized for advanced physics-specific output formats. We find that while current state-of-the-art LLMs show early promise on isolated checkpoints, they remain far from being able to reliably solve full research-scale challenges: the best average accuracy among base models is only 5.7%, achieved by GPT-5 (high), moderately rising to around 10% when equipped with coding tools. Through the realistic yet standardized evaluation offered by CritPt, we highlight a large disconnect between current model capabilities and realistic physics research demands, offering a foundation to guide the development of scientifically grounded AI tools. △ Less

Submitted 20 November, 2025; v1 submitted 30 September, 2025; originally announced September 2025.

Comments: 39 pages, 6 figures, 6 tables

Hysteresis Measurements as a Diagnostic Tool: A Systematic Approach for Stability Benchmarking and Performance Projection of 2D-Materials-Based MOSFETs

Authors: Alexander Karl, Dominic Waldhoer, Theresia Knobloch, Axel Verdianu, Joël Kurzweil, Mina Bahrami, Mohammad Rasool Davoudi, Pedram Khakbaz, Bernhard Stampfer, Seyed Mehdi Sattari-Esfahlan, Yury Illarionov, Aftab Nazir, Changze Liu, Saptarshi Das, Xiao Renshaw Wang, Junchuan Tang, Yichi Zhang, Congwei Tan, Ye Li, Hailin Peng, Michael Waltl, Tibor Grasser

Abstract: Judging by its omnipresence in the literature, the hysteresis observed in the transfer characteristics of emerging transistors based on 2D-materials is widely accepted as an important metric related to the device quality. The hysteresis is often reported with attributes like "negligible" or "small" without giving any specifics as to how this was determined and against what reference the measured v… ▽ More Judging by its omnipresence in the literature, the hysteresis observed in the transfer characteristics of emerging transistors based on 2D-materials is widely accepted as an important metric related to the device quality. The hysteresis is often reported with attributes like "negligible" or "small" without giving any specifics as to how this was determined and against what reference the measured values were compared to. Quite surprisingly, there appears to be only a fragmentary understanding of the mechanisms actually contributing to hysteresis and the sensitivity of the actual measurement on various experimental parameters. We attempt to close this gap by first providing a comprehensive theoretical analysis of the dominant mechanisms contributing to hysteresis: charge trapping by defects from the channel or the gate, the drift of mobile charges, and eventually ferroelectricity. We continue by suggesting methods to experimentally distinguishing between these phenomena. Based on these discussions it becomes clear that previously reported hysteresis values have little meaning as they have been non-systematically recorded under arbitrary conditions. In order to resolve this predicament, we propose a standardized hysteresis measurement scheme to establish the hysteresis as a comparable metric for the assessment of device stability. Our standardized scheme ensures that hysteresis data can be effectively compared across different technologies and, most importantly, provide a means to extrapolate data obtained on thicker prototypes to subnanometer equivalent oxide thicknesses. This facilitates the systematic benchmarking of insulator/channel combinations in terms of stability, which thereby enables the screening of material systems for more stable and reliable 2D-material-based MOSFETs. △ Less

Submitted 25 September, 2025; originally announced September 2025.

Comments: 27 pages, 10 figures

Relaxation and Its Effects on Electronic Structure in Twisted Systems: An Analytical Perspective

Authors: Junxi Yu, Bingbing Wang, Cheng-Cheng Liu

Abstract: Lattice relaxation profoundly reshapes electronic structures in twisted materials. Prevailing treatments, however, typically rely on large-scale density functional theory (DFT), which is computationally costly and mechanistically opaque. Here, we develop a unified analytical framework to overcome these limitations. From continuum elastic theory, we derive closed-form solutions for both in-plane an… ▽ More Lattice relaxation profoundly reshapes electronic structures in twisted materials. Prevailing treatments, however, typically rely on large-scale density functional theory (DFT), which is computationally costly and mechanistically opaque. Here, we develop a unified analytical framework to overcome these limitations. From continuum elastic theory, we derive closed-form solutions for both in-plane and out-of-plane relaxation fields. We further introduce an analytical phase factor expansion theory that maps relaxation into the electronic Hamiltonian. By applying this framework, the relaxation-mediated single-particle and many-body topological phase transitions in twisted MoTe$_{2}$ is accurately captured, and the evolution of flat bands in magic-angle graphene is quantitatively reproduced. Our work transforms the research of moiré relaxation from black-box numerical fitting to an analytical paradigm, offering fundamental insights, exceptional efficiency, and general applicability to a wide range of twisted materials. △ Less

Submitted 16 September, 2025; originally announced September 2025.

Comments: 29 pages, 13 figures

Direct Observation of d-Wave Superconducting Gap Symmetry in Pressurized La3Ni2O7-delta Single Crystals

Authors: Zi-Yu Cao, Di Peng, Seokmin Choi, Fujun Lan, Lan Yu, Enkang Zhang, Zhenfang Xing, Yuxin Liu, Feiyang Zhang, Tao Luo, Lixing Chen, Vuong Thi Anh Hong, Seung-Yeop Paek, Harim Jang, Jinghong Xie, Huayu Liu, Hongbo Lou, Zhidan Zeng, Yang Ding, Jun Zhao, Cailong Liu, Tuson Park, Qiaoshi Zeng, Ho-kwang Mao

Abstract: The recent discovery of superconductivity in pressure-stabilized bulk La3Ni2O7-delta, with a critical temperature (Tc) exceeding 77 K, has opened a new frontier in high-temperature superconductivity research beyond cuprates. Yet, the superconducting gap amplitude and symmetry, the key parameters to characterize a superconductor, remain elusive due to the overwhelming challenges of gap studies unde… ▽ More The recent discovery of superconductivity in pressure-stabilized bulk La3Ni2O7-delta, with a critical temperature (Tc) exceeding 77 K, has opened a new frontier in high-temperature superconductivity research beyond cuprates. Yet, the superconducting gap amplitude and symmetry, the key parameters to characterize a superconductor, remain elusive due to the overwhelming challenges of gap studies under high pressure. Here, we introduce in situ directional point-contact spectroscopy conducted under truly hydrostatic pressure, enabling the direct mapping of the superconducting gap in pressurized La3Ni2O7-delta single crystals. Depending on the junction orientation, differential conductance (dI/dV) spectra exhibit distinct V-shaped quasiparticle features and a sharp zero-bias peak, indicating a predominant d-wave-like pairing symmetry. Measurement of the c-axis gap amplitude Delta yields a gap-to-Tc ratio of 2Delta/kBTc = 4.2(5), positioning La3Ni2O7-delta firmly among unconventional, nodal high-Tc superconductors. These findings set stringent constraints on theoretical models for nickelate superconductors and establish a robust spectroscopic approach for understanding superconductors under extreme pressures. △ Less

Submitted 15 September, 2025; originally announced September 2025.

Comments: 20 pages, 4 figures, 4 supplementary figures

Ultrafast cooperative electronic, structural, and magnetic switching in an altermagnet

Authors: Tiangao Lu, Ao Wu, Junxiang Li, Meng Zeng, Di Cheng, Chang Liu, Jiangbin Gong, Xinwei Li

Abstract: Femtosecond laser control of antiferromagnetic order is a cornerstone for future memory and logic devices operating at terahertz clock rates. The advent of altermagnets -- antiferromagnets with unconventional spin-group symmetries -- creates new opportunities in this evolving field. Here, we demonstrate ultrafast laser-induced switching in altermagnetic $α$-MnTe that orchestrates the concerted dyn… ▽ More Femtosecond laser control of antiferromagnetic order is a cornerstone for future memory and logic devices operating at terahertz clock rates. The advent of altermagnets -- antiferromagnets with unconventional spin-group symmetries -- creates new opportunities in this evolving field. Here, we demonstrate ultrafast laser-induced switching in altermagnetic $α$-MnTe that orchestrates the concerted dynamics of charge, lattice, and spin degrees of freedom. Time-resolved reflectivity and birefringence measurements reveal that the transient melting of spin order is accompanied by pronounced structural and electronic instabilities, as evidenced by phonon nonlinearity and accelerated band gap shrinkage. Theoretical modeling highlights the key roles of robust magnetic correlations and spin-charge coupling pathways intrinsic to this altermagnet. △ Less

Submitted 15 September, 2025; originally announced September 2025.

Comments: 6 pages, 4 figures

Symmetry-enforced Moiré Topology

Authors: Yunzhe Liu, Ethan Angerhofer, Kaijie Yang, Chao-Xing Liu, Jiabin Yu

Abstract: Topological flat bands in two-dimensional (2D) moiré materials have emerged as promising platforms for exploring the interplay between topology and correlation effects. However, realistic calculations of moiré band topology using density functional theory (DFT) are computationally inefficient due to the large number of atoms in a single moiré unit cell. In this work, we propose a systematic scheme… ▽ More Topological flat bands in two-dimensional (2D) moiré materials have emerged as promising platforms for exploring the interplay between topology and correlation effects. However, realistic calculations of moiré band topology using density functional theory (DFT) are computationally inefficient due to the large number of atoms in a single moiré unit cell. In this work, we propose a systematic scheme to predict the topology of moiré bands from atomic symmetry data and moiré symmetry group, both of which can be efficiently extracted from DFT. Specifically, for $Γ$-valley electron gases, we find that certain combinations of atomic symmetry data and moiré symmetry groups can enforce nontrivial band topology in the low-energy moiré bands, as long as the moiré band gap is smaller than the atomic band splitting at the moiré Brillouin zone boundary. This symmetry-enforced nontrivial moiré topology, including both topological insulators and topological semimetals, is robust against various material-specific details such as the precise form and strength of the moiré potential or the exact twist angle. By exhaustively scanning all 2D atomic symmetry data and moiré symmetry groups, we identify 197 combinations that can yield symmetry-enforced nontrivial moiré topology, and we verify one such combination using a moiré model with cubic Rashba spin-orbit coupling. By screening the existing 2D material database, we currently identify 92 monolayer materials with (i) the low-energy bands near $Γ$ and (ii) the atomic symmetry data that belong to those combinations. Our approach is generalizable to other valleys and provides a useful guideline for experimental efforts to discover and design new topologically nontrivial moiré materials. △ Less

Submitted 23 November, 2025; v1 submitted 8 September, 2025; originally announced September 2025.

Comments: 44 pages, 10 figures

Magnetic excitations in biaxial-strain detwinned $α$-RuCl$_{3}$

Authors: Yi Li, Yanyan Shangguan, Xinzhe Wang, Ruixian Liu, Chang Liu, Yongqi Han, Zhaosheng Wang, Christian Balz, Ross Stewart, Shun-Li Yu, Jinsheng Wen, Jian-Xin Li, Xingye Lu

Abstract: The honeycomb magnet $α$-RuCl$_{3}$ has been a leading candidate for realizing the Kitaev quantum spin liquid (QSL), but its intrinsic spin dynamics have remained obscured by crystal twinning. Here we apply biaxial anisotropic strain to detwin $α$-RuCl$_{3}$ single crystals and directly visualize the intrinsic magnetic excitations using inelastic neutron scattering. We discover that the low-energy… ▽ More The honeycomb magnet $α$-RuCl$_{3}$ has been a leading candidate for realizing the Kitaev quantum spin liquid (QSL), but its intrinsic spin dynamics have remained obscured by crystal twinning. Here we apply biaxial anisotropic strain to detwin $α$-RuCl$_{3}$ single crystals and directly visualize the intrinsic magnetic excitations using inelastic neutron scattering. We discover that the low-energy spin waves emerge from the $M$ points -- transverse to the magnetic Bragg peaks -- providing direct evidence of anisotropic magnetic interactions in $α$-RuCl$_{3}$. The intrinsic spin-wave spectrum imposes stringent constraints on the extended Kitaev Hamiltonian, yielding a refined, quantitatively consistent set of exchange couplings for the zigzag ground state and its low-energy dynamics. Above the magnon band, we uncover broad excitation continua: while a twofold-symmetric feature near 6 meV at $Γ$ is consistent with bimagnon scattering, the dominant spectral weight forms a sixfold-symmetric continuum extending up to $\sim 16$ meV that cannot be explained by conventional magnons. This strongly supports the presence of fractionalized excitations-a hallmark of Kitaev QSL physics. Our findings establish biaxial strain as a powerful symmetry-breaking probe to access the intrinsic spin dynamics of Kitaev materials and provide critical benchmarks for refining theoretical models of quantum magnetism in $α$-RuCl$_{3}$. △ Less

Submitted 8 September, 2025; originally announced September 2025.

Comments: 8 pages, 4 figures

Orbital Hybridization-Induced Ising-Type Superconductivity in a Confined Gallium Layer

Authors: Hemian Yi, Yunzhe Liu, Chengye Dong, Yiheng Yang, Zi-Jie Yan, Zihao Wang, Lingjie Zhou, Dingsong Wu, Houke Chen, Stephen Paolini, Bing Xia, Bomin Zhang, Xiaoda Liu, Hongtao Rong, Annie G. Wang, Saswata Mandal, Kaijie Yang, Benjamin N. Katz, Lunhui Hu, Jieyi Liu, Tien-Lin Lee, Vincent H. Crespi, Yuanxi Wang, Yulin Chen, Joshua A. Robinson , et al. (2 additional authors not shown)

Abstract: In low-dimensional superconductors, the interplay between quantum confinement and interfacial hybridization effects can reshape Cooper pair wavefunctions and induce novel forms of unconventional superconductivity. In this work, we employ a plasma-free, carbon buffer layer-assisted confinement epitaxy method to synthesize trilayer gallium (Ga) sandwiched between a graphene layer and a 6H-SiC(0001)… ▽ More In low-dimensional superconductors, the interplay between quantum confinement and interfacial hybridization effects can reshape Cooper pair wavefunctions and induce novel forms of unconventional superconductivity. In this work, we employ a plasma-free, carbon buffer layer-assisted confinement epitaxy method to synthesize trilayer gallium (Ga) sandwiched between a graphene layer and a 6H-SiC(0001) substrate, forming an air-stable graphene/trilayer Ga/SiC heterostructure. In this confined light-element Ga layer, we demonstrate interfacial Ising-type superconductivity driven by atomic orbital hybridization between the Ga layer and the SiC substrate. Electrical transport measurements reveal that the in-plane upper critical magnetic field u0Hc2,|| reaches ~21.98T at T=400 mK, approximately 3.38 times the Pauli paramagnetic limit (~6.51T). Angle-resolved photoemission spectroscopy (ARPES) measurements combined with theoretical calculations confirm the presence of split Fermi surfaces with Ising-type spin textures at the K and K' valleys of the confined Ga layer strongly hybridized with SiC. Moreover, by incorporating finite relaxation time induced by impurity scattering into an Ising-type superconductivity model, we reproduce the entire temperature-dependent u0Hc2,|| phase diagram. This work establishes a new strategy to realize unconventional pairing wavefunctions by combining quantum confinement and interfacial hybridization effects in superconducting thin films. It also opens new avenues for designing scalable superconducting quantum electronic and spintronic devices through interfacial engineering. △ Less

Submitted 6 September, 2025; originally announced September 2025.

Comments: 40 pages, 4 figures and 10 extended data figures, comments are welcome

Gate-Tunable Ambipolar Josephson Current in a Topological Insulator

Authors: Bomin Zhang, Xiaoda Liu, Junjie Qi, Ling-Jie Zhou, Deyi Zhuo, Han Tay, Hongtao Rong, Annie G. Wang, Zhiyuan Xi, Chao-Xing Liu, Chui-Zhen Chen, Cui-Zu Chang

Abstract: Dirac surface states in a topological insulator (TI) with proximity-induced superconductivity offer a promising platform for realizing topological superconductivity and Majorana physics. However, in TIs, the Josephson effect is usually observed in regimes where transport is dominated by either substantial bulk conduction channels or unipolar surface states. In this work, we demonstrate gate-tunabl… ▽ More Dirac surface states in a topological insulator (TI) with proximity-induced superconductivity offer a promising platform for realizing topological superconductivity and Majorana physics. However, in TIs, the Josephson effect is usually observed in regimes where transport is dominated by either substantial bulk conduction channels or unipolar surface states. In this work, we demonstrate gate-tunable ambipolar Josephson current in lateral Josephson junction (JJ) devices based on bulk-insulating (Bi,Sb)2Te3 thin films grown by molecular beam epitaxy (MBE). For thinner films, the supercurrent exhibits pronounced gate-tunable ambipolar behavior and is significantly suppressed as the chemical potential approaches the Dirac point, yet persists across it. In contrast, thicker films exhibit a much weaker ambipolar response. Moreover, we find that the supercurrent becomes significantly less resilient to external magnetic fields when the chemical potential is tuned near the Dirac point in both thickness regimes. Our numerical simulations demonstrate the ambipolar behavior of these TI JJ devices and attribute the asymmetric supercurrent observed in thicker TI films to the coexistence of Dirac surface states and bulk conduction channels. The demonstration of gate-tunable ambipolar Josephson transport in MBE-grown TI films paves the way for realizing Dirac-surface-state-mediated topological superconductivity and establishes a foundation for future exploration of electrically tunable Majorana modes. △ Less

Submitted 6 September, 2025; originally announced September 2025.

Comments: 26 pages, 4 figures, comments are welcome

Journal ref: Nano Lett. (2025)

Fabrication and Characterization of the Moiré surface state on a topological insulator

Authors: Yi Zhang, Dang Liu, Qiaoyan Yu, Ruijun Xi, Xingsen Chen, Shasha Xue, Jice Sun, Xian Du, Xuhui Ning, Tingwen Miao, Pengyu Hu, Hao Yang, Dandan Guan, Xiaoxue Liu, Liang Liu, Yaoyi Li, Shiyong Wang, Canhua Liu, Haijiao Ji, Noah F. Q. Yuan, Hao Zheng, Jinfeng Jia

Abstract: A Moire superlattice on the topological insulator surface is predicted to exhibit many novel properties but has not been experimentally realized. Here, we developed a two-step growth method to successfully fabricate a topological insulator Sb2Te3 thin film with a Moire superlattice, which is generated by a twist of the topmost layer via molecular beam epitaxy. The established Moire topological sur… ▽ More A Moire superlattice on the topological insulator surface is predicted to exhibit many novel properties but has not been experimentally realized. Here, we developed a two-step growth method to successfully fabricate a topological insulator Sb2Te3 thin film with a Moire superlattice, which is generated by a twist of the topmost layer via molecular beam epitaxy. The established Moire topological surface state is characterized by scanning tunneling microscopy and spectroscopy. By application of a magnetic field, new features in Landau levels arise on the Moire region compared to the pristine surface of Sb2Te3, which makes the system a promising platform for pursuing next-generation electronics. Notably, the growth method, which circumvents contamination and the induced interface defects in the manual fabrication method, can be widely applied to other van der Waals materials for fabricating Moire superlattices. △ Less

Submitted 3 September, 2025; originally announced September 2025.

Comments: 16 pages,4 figures,1 table

Journal ref: Nano Letter 2025,25,35,13341,13346

Stabilization of Ferroelectric Hafnia and Zirconia through Y2O3 doping

Authors: Li Yin, Cong Liu, R. E. Cohen

Abstract: We investigate the possible stabilization of ferroelectricity in bulk Y2O3-doped hafnia and zirconia. We use density functional theory (DFT) with large random supercells of hafnia and zirconia and study the relative phase stability of the centrosymmetric cubic and monoclinic phases compared with the polar orthorhombic phase. We find that Y2O3-doping stabilizes the polar ferroelectric phase over th… ▽ More We investigate the possible stabilization of ferroelectricity in bulk Y2O3-doped hafnia and zirconia. We use density functional theory (DFT) with large random supercells of hafnia and zirconia and study the relative phase stability of the centrosymmetric cubic and monoclinic phases compared with the polar orthorhombic phase. We find that Y2O3-doping stabilizes the polar ferroelectric phase over the monoclinic baddeleyite phase in both hafnia and zirconia. △ Less

Submitted 30 August, 2025; originally announced September 2025.

Comments: 5 pages, 4 figures

Self-organized learning emerges from coherent coupling of critical neurons

Authors: Chuanbo Liu, Jin Wang

Abstract: Deep artificial neural networks have surpassed human-level performance across a diverse array of complex learning tasks, establishing themselves as indispensable tools in both social applications and scientific research. Despite these advances, the underlying mechanisms of training in artificial neural networks remain elusive. Here, we propose that artificial neural networks function as adapti… ▽ More Deep artificial neural networks have surpassed human-level performance across a diverse array of complex learning tasks, establishing themselves as indispensable tools in both social applications and scientific research. Despite these advances, the underlying mechanisms of training in artificial neural networks remain elusive. Here, we propose that artificial neural networks function as adaptive, self-organizing information processing systems in which training is mediated by the coherent coupling of strongly activated, task-specific critical neurons. We demonstrate that such neuronal coupling gives rise to Hebbian-like neural correlation graphs, which undergo a dynamic, second-order connectivity phase transition during the initial stages of training. Concurrently, the connection weights among critical neurons are consistently reinforced while being simultaneously redistributed in a stochastic manner. As a result, a precise balance of neuronal contributions is established, inducing a local concentration within the random loss landscape which provides theoretical explanation for generalization capacity. We further identify a later on convergence phase transition characterized by a phase boundary in hyperparameter space, driven by the nonequilibrium probability flux through weight space. The critical computational graphs resulting from coherent coupling also decode the predictive rules learned by artificial neural networks, drawing analogies to avalanche-like dynamics observed in biological neural circuits. Our findings suggest that the coherent coupling of critical neurons and the ensuing local concentration within the loss landscapes may represent universal learning mechanisms shared by both artificial and biological neural computation. △ Less

Submitted 28 August, 2025; originally announced September 2025.

Cooperative Suppression Strategy for Dual Thermal Transport Channels in Crystalline Materials

Authors: Yu Wu, Ying Chen, Shuming Zeng, Hao Zhang, Liujiang Zhou, Chenhan Liu, Su-Huai Wei

Abstract: We propose a novel design principle for achieving ultralow thermal conductivity in crystalline materials via a "heavy-light and soft-stiff" structural motif. By combining heavy and light atomic species with soft and stiff bonding networks, both particle-like ($κ_p$) and wave-like ($κ_c$) phonon transport channels are concurrently suppressed. First-principles calculations show that this architectur… ▽ More We propose a novel design principle for achieving ultralow thermal conductivity in crystalline materials via a "heavy-light and soft-stiff" structural motif. By combining heavy and light atomic species with soft and stiff bonding networks, both particle-like ($κ_p$) and wave-like ($κ_c$) phonon transport channels are concurrently suppressed. First-principles calculations show that this architecture induces a hierarchical phonon spectrum: soft-bonded heavy atoms generate dense low-frequency modes that enhance scattering and reduce $κ_p$, while stiff-bonded light atoms produce sparse high-frequency optical branches that disrupt coherence and lower $κ_c$. High-throughput screening identifies Tl$_4$SiS$_4$ ($κ_p$ = 0.10, $κ_c$ = 0.06 W/mK) and Tl$_4$GeS$_4$ ($κ_p$ = 0.09, $κ_c$ = 0.06 W/mK) as representative candidates with strongly suppressed transport in both channels. A minimal 1D triatomic chain model further demonstrates the generality of this mechanism, offering a new paradigm for phonon engineering beyond the conventional $κ_p$-$κ_c$ trade-off. △ Less

Submitted 24 August, 2025; originally announced August 2025.

Interpretability of linear regression models of glassy dynamics

Authors: Anand Sharma, Chen Liu, Misaki Ozawa, Daniele Coslovich

Abstract: Data-driven models can accurately describe and predict the dynamical properties of glass-forming liquids from structural data. Accurate predictions, however, do not guarantee an understanding of the underlying physical phenomena and the key factors that control them. In this paper, we illustrate the merits and limitations of linear regression models of glassy dynamics built on high-dimensional str… ▽ More Data-driven models can accurately describe and predict the dynamical properties of glass-forming liquids from structural data. Accurate predictions, however, do not guarantee an understanding of the underlying physical phenomena and the key factors that control them. In this paper, we illustrate the merits and limitations of linear regression models of glassy dynamics built on high-dimensional structural descriptors. By analyzing data for a two-dimensional glass model, we show that several descriptors commonly used in glass-transition studies display multicollinearity, which hinders the interpretability of linear models. Ridge regression suppresses some of the shortcomings of multicollinearity, but its solutions are not succinct enough to be physically interpretable. Only by using dimensional reduction techniques we eventually obtain linear models that strike a balance between prediction accuracy and interpretability. Our analysis points to a key role of local packing and composition fluctuations in the glass model under study. △ Less

Submitted 21 August, 2025; originally announced August 2025.

Comments: 22 pages, 16 figures

Quantum-size effect induced Andreev bound states in ultrathin metallic islands proximitized by a superconductor

Authors: Guanyong Wang, Li-Shuo Liu, Zhen Zhu, Yue Zheng, Bo Yang, Dandan Guan, Shiyong Wang, Yaoyi Li, Canhua Liu, Wei Chen, Hao Zheng, Jinfeng Jia

Abstract: While Andreev bound states (ABSs) have been realized in engineered superconducting junctions, their direct observation in normal metal/superconductor heterostructures-enabled by quantum confinement-remains experimentally elusive. Here, we report the detection of ABSs in ultrathin metallic islands (Bi, Ag, and SnTe) grown on the s-wave superconductor NbN. Using high-resolution scanning tunneling mi… ▽ More While Andreev bound states (ABSs) have been realized in engineered superconducting junctions, their direct observation in normal metal/superconductor heterostructures-enabled by quantum confinement-remains experimentally elusive. Here, we report the detection of ABSs in ultrathin metallic islands (Bi, Ag, and SnTe) grown on the s-wave superconductor NbN. Using high-resolution scanning tunneling microscopy and spectroscopy, we clearly reveal in-gap ABSs with energies symmetric about the Fermi level. While the energies of these states show no position dependence, their wave functions exhibit spatial oscillations, demonstrating a quantum size effect. Both the energy levels and spatial distribution of the ABSs can be reproduced by our effective model in which a metallic island is coupled to the superconducting substrate via the proximity effect. We demonstrate that the coupling strength plays a critical role in determining the ABS energies. Our work introduces a novel physical platform for implementing ABSs, which hold promise for significant device applications. △ Less

Submitted 20 August, 2025; originally announced August 2025.

Journal ref: Physical Review Letters 135, 076201 (2025)