Showing 1–50 of 687 results for author: Zhu, Y

High Breakdown Field Multi-kV UWBG AlGaN Transistors

Authors: Seungheon Shin, Kyle Liddy, Jon Pratt, Can Cao, Yinxuan Zhu, Brianna A. Klein, Andrew Armstrong, Andrew A. Allerman, Siddharth Rajan

Abstract: We demonstrate high-performance UWBG AlGaN PolFETs exhibiting a state-of-the-art combination of nearly 1 A/mm on-state current (~ 960 mA/mm) and large breakdown field (> 4.8 MV/cm) in high carrier density (1.15 x 1013 cm-2). Multi-kV robustness is successfully demonstrated exhibiting 1.28 and 2.17 kV by utilizing a gate-connected field plate structures in 3.9 and 6.8 μm LGD, corresponding to the e… ▽ More We demonstrate high-performance UWBG AlGaN PolFETs exhibiting a state-of-the-art combination of nearly 1 A/mm on-state current (~ 960 mA/mm) and large breakdown field (> 4.8 MV/cm) in high carrier density (1.15 x 1013 cm-2). Multi-kV robustness is successfully demonstrated exhibiting 1.28 and 2.17 kV by utilizing a gate-connected field plate structures in 3.9 and 6.8 μm LGD, corresponding to the extremely low specific on-resistance of 1.25 and 2.86 mΩcm2, respectively. High RF performance is also achieved, providing fT and fMAX, of 8.5 and 15 GHz, respectively, for 3.9 μm LGD. These results highlight UWBG AlGaN as a platform for both high-voltage RF and power applications. △ Less

Submitted 7 April, 2026; originally announced April 2026.

Comments: 11 pages, 9 figures, supplementary materials

Collective spin excitations in trilayer nickelate La$_4$Ni$_3$O$_{10}$

Authors: Ying Chan, Yuehong Li, Yujie Yan, Xunyang Hong, Tianren Wang, Marli dos Reis Cantarino, Yinghao Zhu, Enkang Zhang, Lixing Chen, Jun Okamoto, Hsiao-Yu Huang, Di-Jing Huang, N. B. Brookes, Johan Chang, Yao Shen, Jun Zhao, Qisi Wang

Abstract: Ruddlesden-Popper (RP) nickelates have recently emerged as a new family of high-temperature superconductors. In bilayer RP nickelates, magnetic excitations with large exchange couplings have been observed, supporting a spin-mediated pairing mechanism. Whether comparable spin correlations persist in trilayer nickelates, however, remains unknown. Here, we present a Ni $L$-edge resonant inelastic X-r… ▽ More Ruddlesden-Popper (RP) nickelates have recently emerged as a new family of high-temperature superconductors. In bilayer RP nickelates, magnetic excitations with large exchange couplings have been observed, supporting a spin-mediated pairing mechanism. Whether comparable spin correlations persist in trilayer nickelates, however, remains unknown. Here, we present a Ni $L$-edge resonant inelastic X-ray scattering (RIXS) study of La$_4$Ni$_3$O$_{10}$ single crystals. While the orbital excitations remain similar to those of La$_3$Ni$_2$O$_{7}$, the collective spin excitations in La$_4$Ni$_3$O$_{10}$ exhibit a comparable bandwidth of about $60$ meV but substantially suppressed spectral weight, implying a weaker electronic correlation in the trilayer compounds. Our results underscore the three-dimensional and multi-orbital electronic character in La$_4$Ni$_3$O$_{10}$, highlighting important differences from the bilayer nickelates. These findings provide crucial insights into the evolution of magnetism across the RP nickelate family and its connection to superconductivity. △ Less

Submitted 6 April, 2026; originally announced April 2026.

Comments: Supplementary Information available upon request

KappaFormer: Physics-aware Transformer for lattice thermal conductivity via cross-domain transfer learning

Authors: Mengfan Wu, Junfu Tan, Yu Zhu, Jie Ren

Abstract: Machine learning has been widely used for predicting material properties. However, efficient prediction of lattice thermal conductivity ($κ_\mathrm{L}$) remains a long-standing challenge, primarily due to the scarcity of high-quality training data. Here we introduce KappaFormer, a physics-aware Transformer architecture that embeds the harmonic-anharmonic decomposition of $κ_\mathrm{L}$ within the… ▽ More Machine learning has been widely used for predicting material properties. However, efficient prediction of lattice thermal conductivity ($κ_\mathrm{L}$) remains a long-standing challenge, primarily due to the scarcity of high-quality training data. Here we introduce KappaFormer, a physics-aware Transformer architecture that embeds the harmonic-anharmonic decomposition of $κ_\mathrm{L}$ within the network. KappaFormer comprises a harmonic branch pre-trained on large-scale elastic property data and an anharmonic branch fine-tuned on limited experimental $κ_\mathrm{L}$ data, enabling effective knowledge transfer and enhanced generalization. High-throughput screening with KappaFormer identifies multiple candidates with ultralow $κ_\mathrm{L}$, which are further confirmed by first-principles calculations. Physics interpretability further elucidates the vibrational mechanisms governing thermal transport suppression, linking structural motifs to strong anharmonicity. This study provides a generalizable framework for physics-guided machine learning to accelerate the discovery of new materials. △ Less

Submitted 3 April, 2026; originally announced April 2026.

Comments: 17 pages, 6 figures

Strong-coupling expansion and two-point Padé approximation for lattice $φ^4$ field theory

Authors: Yuanran Zhu, Efekan Kökcü, Chao Yang

Abstract: Reliable approximations for correlation functions at intermediate and strong coupling remain hard to obtain for general quantum field theories. Perturbative expansions are often asymptotic or have a finite radius of convergence, which limits their applicability beyond weak coupling. Here we combine weak- and strong-coupling expansions and propose to use two-point Padé schemes to construct approxim… ▽ More Reliable approximations for correlation functions at intermediate and strong coupling remain hard to obtain for general quantum field theories. Perturbative expansions are often asymptotic or have a finite radius of convergence, which limits their applicability beyond weak coupling. Here we combine weak- and strong-coupling expansions and propose to use two-point Padé schemes to construct approximants. For lattice $φ^4$ theory, we show that this two-point interpolation strategy yields accurate global approximations to the two-point correlation function across broad coupling regimes and compares favorably with standard one-point resummation methods. We also provide heuristic explanations for the observed convergence behavior and discuss the practical range of validity of the approach. △ Less

Submitted 1 April, 2026; originally announced April 2026.

Tilted and Twisted Magnetic Moments in the Kitaev Magnet $α$-RuCl$_3$

Authors: Xiao Wang, Fengfeng Zhu, Markus Braden, Karin Schmalzl, Wolfgang Schmidt, Martin Meven, Erxi Feng, Yinghao Zhu, Alexandre Bertin, Paul Steffens, Yixi Su

Abstract: The layered honeycomb magnet $α$-RuCl$_3$ has attracted intense scrutiny as a prime candidate for realizing the Kitaev quantum spin liquid, yet a consensus on its microscopic Hamiltonian remains elusive due to the material's extreme sensitivity to structural details. Here, we report a comprehensive reexamination of the low-temperature crystallographic and magnetic structures of high-quality $α$-Ru… ▽ More The layered honeycomb magnet $α$-RuCl$_3$ has attracted intense scrutiny as a prime candidate for realizing the Kitaev quantum spin liquid, yet a consensus on its microscopic Hamiltonian remains elusive due to the material's extreme sensitivity to structural details. Here, we report a comprehensive reexamination of the low-temperature crystallographic and magnetic structures of high-quality $α$-RuCl$_3$ single crystals using unpolarized and polarized neutron diffraction. We confirm a sharp, first-order structural phase transition to the rhombohedral $R\bar{3}$ space group with a pronounced thermal hysteresis. Crucially, using both spherical and longitudinal neutron polarization analysis, we determine the 3D orientation of the ordered magnetic moment without the ambiguity typically arising from domain distributions. We find that the Ru$^{3+}$ magnetic moments in the zigzag phase are tilted by $15.7^\circ$ out of the hexagonal plane and, remarkably, exhibit an additional in-plane twist of $-13.8^\circ$. This "tilted and twisted" geometry differentiates the ground state from the previously reported models based on unpolarized neutron diffraction or resonant elastic X-ray scattering (REXS) analysis. △ Less

Submitted 31 March, 2026; v1 submitted 30 March, 2026; originally announced March 2026.

Comments: CPL accepted, with Supplementary Material included

Stabilization of zigzag order in NiPS$_3$ via positive biquadratic interaction

Authors: Qiang Luo, Shuhang Yang, Xiaoying Wang, Zhengyu Jiang, Chunlan Ma, Yan Zhu

Abstract: Despite extensive research, the precise spin Hamiltonian of the van der Waals antiferromagnet NiPS$_3$ -- which hosts a zigzag-ordered ground state -- remains debated. While consensus has emerged on ferromagnetic nearest-neighbor ($J_1$) and antiferromagnetic third-nearest-neighbor ($J_3$) Heisenberg interactions, recent studies suggest a biquadratic ($B$) exchange term may also play a role, thoug… ▽ More Despite extensive research, the precise spin Hamiltonian of the van der Waals antiferromagnet NiPS$_3$ -- which hosts a zigzag-ordered ground state -- remains debated. While consensus has emerged on ferromagnetic nearest-neighbor ($J_1$) and antiferromagnetic third-nearest-neighbor ($J_3$) Heisenberg interactions, recent studies suggest a biquadratic ($B$) exchange term may also play a role, though its estimated magnitude varies widely. To address this controversy, we perform density functional theory calculations and extract a positive biquadratic interaction with $B/J_3 \approx 0.44$. Within the minimal $J_1$-$J_3$-$B$ model, we show that these parameters naturally stabilize zigzag ordering using minimally augmented spin-wave theory. Density-matrix renormalization group calculations further validate our extracted parameters as a reasonable description of the ground state. Although fully resolving the spin Hamiltonian of NiPS$_3$ requires further investigation, our findings provide new insights into its biquadratic interaction. △ Less

Submitted 26 March, 2026; originally announced March 2026.

Comments: 10 pages, 8 figures

GPUMDkit: A User-Friendly Toolkit for GPUMD and NEP

Authors: Zihan Yan, Denan Li, Xin Wu, Zhoulin Liu, Chen Hua, Boyi Situ, Hao Yang, Shengjie Tang, Benrui Tang, Ziyang Wang, Shangzhao Yi, Huan Wang, Dian Huang, Ke Li, Qilin Guo, Zherui Chen, Ke Xu, Yanzhou Wang, Ziliang Wang, Gang Tang, Shi Liu, Zheyong Fan, Yizhou Zhu

Abstract: Machine-learned interatomic potentials have revolutionized molecular dynamics simulations by providing quantum-mechanical accuracy at empirical-potential speeds. The graphics processing unit molecular dynamics (GPUMD) package, featuring the highly efficient neuroevolution potential (NEP) framework, has emerged as a powerful tool in this domain. However, the complexity of force field development, a… ▽ More Machine-learned interatomic potentials have revolutionized molecular dynamics simulations by providing quantum-mechanical accuracy at empirical-potential speeds. The graphics processing unit molecular dynamics (GPUMD) package, featuring the highly efficient neuroevolution potential (NEP) framework, has emerged as a powerful tool in this domain. However, the complexity of force field development, active learning, and trajectory post-processing often requires extensive manual scripting, imposing a steep learning curve on new users. To address this, we present GPUMDkit, a comprehensive and user-friendly toolkit that streamlines the entire simulation workflow for GPUMD and NEP. GPUMDkit integrates a suite of essential functionalities, including format conversion, structure sampling, property calculation, and data visualization, accessible through both interactive and command-line interfaces. Its modular, extensible architecture ensures accessibility for users of all experience levels while allowing seamless integration of new features. By automating complex tasks and enhancing productivity, GPUMDkit substantially lowers the barrier to using GPUMD and NEP programs. This article describes the program architecture and demonstrates its capabilities through practical applications. △ Less

Submitted 18 March, 2026; originally announced March 2026.

Comments: 17 pages, 7 figures

Generative Inverse Design of Cold Metals for Low-Power Electronics

Authors: Kedeng Wu, Yucheng Zhu, Yan Chen, Bizhu Zhang, Shuyu Liu, Xiaobin Deng, Yabei Wu, Liangliang Zhu, Hang Xiao

Abstract: Cold metals are a class of metals with an intrinsic energy gap located close to the Fermi level, which enables cold-carrier injection for steep-slope transistors and is therefore promising for low-power electronic applications. High-throughput screening has revealed 252 three-dimensional (3D) cold metals in the Materials Project database, but database searches are inherently limited to known compo… ▽ More Cold metals are a class of metals with an intrinsic energy gap located close to the Fermi level, which enables cold-carrier injection for steep-slope transistors and is therefore promising for low-power electronic applications. High-throughput screening has revealed 252 three-dimensional (3D) cold metals in the Materials Project database, but database searches are inherently limited to known compounds. Here we present an inverse-design workflow that generates 3D cold metals using MatterGPT, a conditional autoregressive Transformer trained on SLICES, an invertible and symmetry-invariant crystal string representation. We curate a training set of 26,309 metallic structures labeled with energy above hull and a unified band-edge distance descriptor that merges p-type and n-type cold-metal characteristics to address severe label imbalance. Property-conditioned generation targeting thermodynamic stability and 50-500 meV band-edge distances produces 148,506 unique candidates; 92.1% are successfully reconstructed to 3D structures and down-selected by symmetry, uniqueness and novelty filters, followed by high-throughput DFT validation. We identify 257 cold metals verified as novel with respect to the Materials Project database, with gaps around the Fermi level spanning 50-500 meV. First-principles phonon, electronic-structure, and work-function calculations for representative candidates confirm dynamical stability and contact-relevant work functions. Our results demonstrate that SLICES-enabled generative transformers can expand the chemical space of cold metals beyond high-throughput screening, providing a route to low-power electronic materials discovery. △ Less

Submitted 14 March, 2026; originally announced March 2026.

First-principles predictions of band alignment in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures

Authors: Nathaniel M. Vegh, Pericles Philippopoulos, Raphaël J. Prentki, Wanting Zhang, Yu Zhu, Félix Beaudoin, Hong Guo

Abstract: Accurate band offsets are essential for predictive continuum modeling of nanostructures such as quantum wells and quantum dots formed in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures. Experimental offset data for these systems remain sparse away from endpoint compositions, making composition-dependent design difficult. We use atomistic first-principles density functional theory to compute… ▽ More Accurate band offsets are essential for predictive continuum modeling of nanostructures such as quantum wells and quantum dots formed in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures. Experimental offset data for these systems remain sparse away from endpoint compositions, making composition-dependent design difficult. We use atomistic first-principles density functional theory to compute valence- and conduction-band offsets across the full range 0 <= x <= 1. Random alloying is treated with special quasirandom structures, interface lineup terms are extracted from macroscopically averaged local Kohn-Sham potentials in thick periodic superlattices, valence-band spin-orbit coupling is included through species-resolved Mulliken weights, and conduction-band edges are refined using the screened hybrid Heyd-Scuseria-Ernzerhof functional. The resulting offsets show pronounced composition nonlinearity beyond the linear models explored in previous works, agree with experimental benchmarks, and reproduce the high-Ge slope change in the relaxed-alloy band gap. Analytic fitting expressions are provided for direct use in simulations, facilitating practical design of modern quantum technology devices. △ Less

Submitted 13 March, 2026; originally announced March 2026.

Comments: 5 pages, 4 figures. Prepared for submission to Applied Physics Letters

A Perspective on Training Machine Learning Force Fields for Solid-State Electrolyte Materials

Authors: Zihan Yan, Shengjie Tang, Yizhou Zhu

Abstract: Machine learning force fields enable high-accuracy modeling of solid-state electrolytes (SSEs). This perspective evaluates dataset size, reference quality, and model architectures. We show that rigid SSE frameworks favor efficient learning, prioritizing data quality over quantity. Crucially, force RMSE does not reliably predict transport performance. By analyzing locality and benchmarking framewor… ▽ More Machine learning force fields enable high-accuracy modeling of solid-state electrolytes (SSEs). This perspective evaluates dataset size, reference quality, and model architectures. We show that rigid SSE frameworks favor efficient learning, prioritizing data quality over quantity. Crucially, force RMSE does not reliably predict transport performance. By analyzing locality and benchmarking frameworks, we provide practical guidelines to accelerate the development of next-generation solid-state batteries. △ Less

Submitted 7 March, 2026; originally announced March 2026.

Comments: 10 pages, 5 figures

Universal Behavior on the Relaxation Dynamics of Far-From-Equilibrium Quantum Fluids

Authors: Sarah Sab, Michelle A. Moreno-Armijos, Arnol D. García-Orozco, Gabriel V. Fernandes, Ying Zhu, Amilson R. Fritsch, Hélène Perrin, Sergey Nazarenko, Vanderlei S. Bagnato

Abstract: Investigating the initial conditions that lead many-body quantum systems to an out-of-equilibrium state is fundamental for understanding their thermalization dynamics. In this work we observe the relaxation for two regimes of excitation that can drive the turbulent Bose-Einstein condensate into two distinct final states, and are defined by the amount of energy injected into the system. The subcrit… ▽ More Investigating the initial conditions that lead many-body quantum systems to an out-of-equilibrium state is fundamental for understanding their thermalization dynamics. In this work we observe the relaxation for two regimes of excitation that can drive the turbulent Bose-Einstein condensate into two distinct final states, and are defined by the amount of energy injected into the system. The subcritical regime is characterized by a lower injection of energy, which can lead to an inverse particle cascade and, consequently, to the BEC mode repopulation during the relaxation process. The supercritical regime is marked by a higher energy injection, that may lead to the BEC dissolution and a final thermal state. In both cases we observe relaxation stages that exhibit the same key features: a direct cascade, a non-thermal fixed point with the same exponents, a prethermalization region and, finally, the thermalization of the system. In the final thermalization stage, universal scaling is observed for both regimes, even though their final states are completely different. By analyzing the coherence length of our turbulent cloud, we clearly visualize the recovery and the loss of the coherence for the subcritical and supercritical regimes after relaxation. These results indicate that the evolution of turbulence occurs independent of its initial conditions and of the final state achieved. △ Less

Submitted 2 March, 2026; originally announced March 2026.

On estimating superconducting shielding volume fraction from susceptibility in pressurized Ruddlesden-Popper nickelates: Response to arXiv:2602.19282

Authors: Yinghao Zhu, Di Peng, Enkang Zhang, Bingying Pan, Xu Chen, Zhenfang Xing, Cuiying Pei, Feiyu Li, Yanpeng Qi, Junjie Zhang, Qiaoshi Zeng, Jian-gang Guo, Jun Zhao

Abstract: In a recent preprint (arXiv:2602.19282) [1], the authors questioned the procedure we used to evaluate the demagnetization-corrected superconducting shielding volume fraction in pressurized Ruddlesden-Popper nickelates [2-5]. They further claimed that this methodology has neither been derived nor used previously, and they proposed an alternative normalization scheme. Here we clarify that our evalua… ▽ More In a recent preprint (arXiv:2602.19282) [1], the authors questioned the procedure we used to evaluate the demagnetization-corrected superconducting shielding volume fraction in pressurized Ruddlesden-Popper nickelates [2-5]. They further claimed that this methodology has neither been derived nor used previously, and they proposed an alternative normalization scheme. Here we clarify that our evaluation follows directly from the standard magnetostatic self-consistency relation for finite samples and has been widely adopted in the superconductivity literature for decades. We also demonstrate that the discrepancies claimed in Ref. [1] stem from a fundamental flaw in their approach, namely, the assumption that the measured diamagnetic moment is linearly proportional to the superconducting shielding volume fraction in the presence of a finite demagnetization factor N. This assumption is not valid for strongly demagnetized, thin disk-like specimens, where the internal field and the measured moment are coupled self-consistently through the demagnetizing field. △ Less

Submitted 1 March, 2026; originally announced March 2026.

Comments: 7 pages

Ornstein-Uhlenbeck information particle: A new candidate of active agent

Authors: Xin Song, Xiji Shao, Yanwen Zhu, Cheng Yang, Linli He, Shigeyuki Komura, Zhanglin Hou

Abstract: An information particle can acquire active-like motion through transforming the information entropy into effective self-propulsion velocity/force using the attached information engine. We consider an underdamped Brownian particle additionally driven by either a constant self-propulsion force or an information engine using Ornstein-Uhlenbeck (OU) bath feedback control, such particles are called sel… ▽ More An information particle can acquire active-like motion through transforming the information entropy into effective self-propulsion velocity/force using the attached information engine. We consider an underdamped Brownian particle additionally driven by either a constant self-propulsion force or an information engine using Ornstein-Uhlenbeck (OU) bath feedback control, such particles are called self-propelled particle (SPP) or OU information particle (OUIP). Compared to the widely-investigated SPP, the OUIP shows a significant different dynamical pattern, including two types of moving mode: a slow-speed diffusion mode and a high-speed traveling mode. The specific evolution of OUIP can be adjusted flexibly between such two modes through the inertial effect, thus acquiring a rich and non-trivial motion behavior. By tuning the strength of fluctuation of the OU bath, a wide range of net velocity can be achieved for OUIP. We highlight that OUIP could be an exceptional candidate for active agent. △ Less

Submitted 5 February, 2026; originally announced February 2026.

Comments: 8 pages, 5 figures including 3 figures in main text and 2 figures in Appendix

Unconventional superconductivity from lattice quantum disorder

Authors: Yu-Cheng Zhu, Jia-Xi Zeng, Xin-Zheng Li

Abstract: Unconventional superconductivity presents a defining and enduring challenge in condensed matter physics. Prevailing theoretical frameworks have predominantly emphasized electronic degrees of freedom, largely neglecting the rich physics inherent in the lattice. Although conventional phonon theory offers an elegant description of structural phase diagrams and lattice dynamics, its omission of nuclea… ▽ More Unconventional superconductivity presents a defining and enduring challenge in condensed matter physics. Prevailing theoretical frameworks have predominantly emphasized electronic degrees of freedom, largely neglecting the rich physics inherent in the lattice. Although conventional phonon theory offers an elegant description of structural phase diagrams and lattice dynamics, its omission of nuclear quantum many-body effects results in misleading phase diagram interpretations and, consequently, an unsound foundation for superconducting theory. Here, by incorporating nuclear quantum many-body effects within first-principles calculations, we discover a lattice quantum disordered phase in superconductors H3S and La3Ni2O7. This phase occupies a triangular region in the pressure-temperature phase diagram, whose left boundary aligns precisely with Tc of the left flank of the superconducting dome. The Tcmax of this quantum disordered phase coincides with the maximum of superconducting Tc, indicating this phase as both the origin of superconductivity on the dome's left flank and a key ingredient of its pairing mechanism. Our findings advance the understanding of high-temperature superconductivity and establish the lattice quantum disordered phase as a unifying framework, both for predicting new superconductors and for elucidating phenomena in a broader context of condensed matter physics. △ Less

Submitted 3 February, 2026; originally announced February 2026.

Contrasting Momentum-Selective Spin-Density-Wave Gaps in Bilayer and Trilayer Nickelates

Authors: Jun Shu, Jun Shen, Xiaoxiang Zhou, Yinghao Zhu, Qingsong Wang, Dengjing Wang, Weihong He, Jie Yuan, Kui Jin, Dawei Shen, Congcong Le, Jun Zhao, Zengyi Du, Ge He, Donglai Feng

Abstract: Resolving where the density-wave gap opens in momentum space is essential for identifying the microscopic origin of the instability in layered nickelates. Using polarization-resolved electronic Raman scattering, we map the momentum selectivity of the spin-density-wave (SDW) gap in trilayer La4Ni3O10. We observe a SDW-induced redistribution of spectral weight on both the $α$ pocket at the Brillouin… ▽ More Resolving where the density-wave gap opens in momentum space is essential for identifying the microscopic origin of the instability in layered nickelates. Using polarization-resolved electronic Raman scattering, we map the momentum selectivity of the spin-density-wave (SDW) gap in trilayer La4Ni3O10. We observe a SDW-induced redistribution of spectral weight on both the $α$ pocket at the Brillouin-zone centre and a portion of the $β$ pocket near the zone boundary, characterized by gap energies of approximately 55~meV. In contrast, no comparable spectral weight suppression is observed along the diagonal region of $β$ pockets, implying little or no gap opening. This gap topology contrasts sharply with that in La3Ni2O7, where anisotropic SDW gaps open solely on the $β$ pocket. Our results establish a distinct momentum-space gap topology between bilayer and trilayer nickelates, placing new constraints on the ordering wave vector and the mechanism of the density-wave instability relevant to superconductivity. △ Less

Submitted 2 February, 2026; originally announced February 2026.

Comments: 6 pages, 3 figures

Bosonic phases across the superconductor-insulator transition in infinite-layer samarium nickelate

Authors: Menghan Liao, Heng Wang, Mingwei Yang, Chuanwu Cao, Jiayin Tang, Wenjing Xu, Xianfeng Wu, Guangdi Zhou, Haoliang Huang, Kaiwei Chen, Yuying Zhu, Peng Deng, Jianhao Chen, Zhuoyu Chen, Danfeng Li, Kai Chang, Qi-Kun Xue

Abstract: Superconductivity arises from the global phase coherence of Cooper pairs. Modulation of phase coherence leads to quantum phase transitions, serving as an important tool for studying unconventional superconductivity. Here, we demonstrate bosonic phases across the superconductor-insulator transition in infinite-layer nickelate superconducting films by the control of spatially periodic network patter… ▽ More Superconductivity arises from the global phase coherence of Cooper pairs. Modulation of phase coherence leads to quantum phase transitions, serving as an important tool for studying unconventional superconductivity. Here, we demonstrate bosonic phases across the superconductor-insulator transition in infinite-layer nickelate superconducting films by the control of spatially periodic network patterns. Magnetoresistance oscillations with a periodicity of h/2e provide direct evidence of 2e Cooper pairing in nickelates. The phase transition is predominantly driven by enhanced superconducting fluctuations, and Cooper pairs are involved in charge transport across the transition. Notably, we observe two types of anomalous metallic phases, emerging respectively at finite magnetic fields and down to zero magnetic field. They can be characterized by bosonic excitations, suggesting the dynamic roles of vortices in the ground states. Our work establishes nickelates as a key platform for investigating the rich landscape of bosonic phases controlled via the phase coherence of Cooper pairs. △ Less

Submitted 19 February, 2026; v1 submitted 27 January, 2026; originally announced January 2026.

Comments: The manuscript has been published in Phys. Rev. X https://link.aps.org/doi/10.1103/rrc1-cqdy

qNEP: A highly efficient neuroevolution potential with dynamic charges for large-scale atomistic simulations

Authors: Zheyong Fan, Benrui Tang, Esmée Berger, Ethan Berger, Erik Fransson, Ke Xu, Zihan Yan, Zhoulin Liu, Zichen Song, Haikuan Dong, Shunda Chen, Lei Li, Ziliang Wang, Yizhou Zhu, Julia Wiktor, Paul Erhart

Abstract: Although electrostatics can be incorporated into machine-learned interatomic potentials, existing approaches are computationally very demanding, limiting large-scale, long-time simulations of electrostatics-driven phenomena such as dielectric response, infrared activity, and field-matter coupling. Here, we extend the neuroevolution potential (NEP), a highly efficient machine-learned interatomic po… ▽ More Although electrostatics can be incorporated into machine-learned interatomic potentials, existing approaches are computationally very demanding, limiting large-scale, long-time simulations of electrostatics-driven phenomena such as dielectric response, infrared activity, and field-matter coupling. Here, we extend the neuroevolution potential (NEP), a highly efficient machine-learned interatomic potential, to a charge-aware framework (qNEP) by introducing explicit, environment-dependent partial charges. Each ionic partial charge is represented by a neural network as a function of the local descriptor vector, analogous to the NEP site-energy model. This formulation enables the direct prediction of the Born effective charge tensor for each ion and, consequently, the polarization. As a result, dielectric properties, infrared spectra, and coupling to external electric fields can be evaluated within a unified framework. We derive consistent expressions for the forces and virials that explicitly account for the position dependence of the partial charges. The qNEP method has been implemented in the free-and-open-source GPUMD package, with support for both Ewald summation and particle-particle particle-mesh treatments of electrostatics. We demonstrate the accuracy and efficiency of the qNEP approach through representative applications to water, Li7La3Zr2O12, BaTiO3, and a magnesium-water interface. These results show that qNEP enables accurate atomistic simulations with explicit long-range electrostatics, scalable to million-atom systems on nanosecond time scales using consumer-grade GPUs. △ Less

Submitted 26 January, 2026; originally announced January 2026.

Comments: 17 pages, 7 figures

Electrostatic Screening Modulation of Graphene's Electronic Structure and the Helical Wavefunction Dominated Topological Properties

Authors: Yaorui Tan, Xiang Chen, Yunhu Zhu, Xiaowu Yang, Zhongkai Huang, Chuang Yao, Maolin Bo

Abstract: This study examines electrostatic screening effects in graphene using tight binding calculations based on the Binding energy and Bond Charge model and a modified version of it. The results indicate that the modified BBC potential decays in an exponential manner with distance, which suppresses electron electron interactions. The hopping integrals exhibit a pronounced decrease over distance and shif… ▽ More This study examines electrostatic screening effects in graphene using tight binding calculations based on the Binding energy and Bond Charge model and a modified version of it. The results indicate that the modified BBC potential decays in an exponential manner with distance, which suppresses electron electron interactions. The hopping integrals exhibit a pronounced decrease over distance and shift with parameter variation. A band gap opens once the parameter exceeds a certain threshold. The density of states shows a prominent peak near the Fermi level, whereas the low-energy region remains largely unchanged. The low energy helical wave functions in graphene display topological characteristics, including pseudospin momentum locking and a π Berry phase, resulting in distinctive transport properties. By avoiding the Coulomb singularity, the model offers valuable insights for the engineering of screening in two-dimensional systems and the design of topological devices. △ Less

Submitted 11 February, 2026; v1 submitted 26 January, 2026; originally announced January 2026.

Collapse of a single polymer chain: Effects of chain stiffness and attraction range

Authors: Yanyan Zhu, Haim Diamant, David Andelman

Abstract: Chain-like macromolecules in solution, whether biological or synthetic, transform from an extended conformation to a compact one when temperature or other system parameters change. This collapse transition is relevant in various phenomena, including DNA condensation, protein folding, and the behavior of polymers in solution. We investigate the interplay of chain stiffness and range of attraction b… ▽ More Chain-like macromolecules in solution, whether biological or synthetic, transform from an extended conformation to a compact one when temperature or other system parameters change. This collapse transition is relevant in various phenomena, including DNA condensation, protein folding, and the behavior of polymers in solution. We investigate the interplay of chain stiffness and range of attraction between monomers in the collapse of a single polymer chain. We use Monte Carlo simulations based on the pruned-enriched Rosenbluth method. We demonstrate that the competition between the persistence length, l_p, and the range of attraction, r_c, determines whether the chain's collapse behavior resembles that of flexible chains or stiff ones. When l_p is larger than r_c, the chain collapses sharply with decreasing temperature, whereas if l_p is smaller than r_c, it contracts gradually. Notably, in the regime of small l_p and large r_c, this rounding into a gradual compaction persists upon increasing the chain length and may remain in place in the limit of infinite chain length. Furthermore, for small r_c, the transition temperature (theta-temperature) increases with l_p, whereas for large r_c the theta-temperature decreases with l_p. Thus, stiffness promotes collapse for small r_c but suppresses it for large r_c. Our findings are in agreement with recent experiments on the contraction of single-stranded RNA as compared to double-stranded DNA, and provide valuable insights for understanding polymer collapse and the essential polymer parameters affecting it. △ Less

Submitted 13 April, 2026; v1 submitted 14 January, 2026; originally announced January 2026.

Strain-Driven "Sinusoidal" Valley Control of Hybridized $Γ-\mathrm{K}$ Excitons

Authors: Yingtong Zhu, Kang Lan, Shiling Li, Ning Hao, Ping Zhang, Jiyong Fu

Abstract: The photoluminescence (PL) of momentum-indirect $\rm Γ- K$ excitons in monolayer WS$_2$ under biaxial strain was recently observed by Blundo et al. [Phys. Rev. Lett. 129, 067402 (2022)], yet its microscopic origin remains elusive. Here we develop a unified framework that reproduces the measured PL and reveals its fundamental excitonic mechanism. We reveal that: (i) the PL originates from genuinely… ▽ More The photoluminescence (PL) of momentum-indirect $\rm Γ- K$ excitons in monolayer WS$_2$ under biaxial strain was recently observed by Blundo et al. [Phys. Rev. Lett. 129, 067402 (2022)], yet its microscopic origin remains elusive. Here we develop a unified framework that reproduces the measured PL and reveals its fundamental excitonic mechanism. We reveal that: (i) the PL originates from genuinely hybridized direct-indirect excitonic eigenstates, rather than nominally mixed species with fixed dominant character; (ii) the direct exciton converts into the indirect one via a previously unrecognized two-step pathway -- exchange-interaction-driven exciton transfer followed by a spin flip; and (iii) a higher-energy indirect exciton, absent from prior studies, acts as a crucial intermediate mediating this conversion. Beyond explaining experiment, our theory predicts a striking strain-driven "sinusoidal'' valley response, furnishing a continuously tunable valley dial that far exceeds binary control schemes. This unified picture of strain-engineered direct-indirect exciton dynamics introduces a new paradigm for manipulating long-lived valley degrees of freedom, opening a pathway toward programmable valley pseudospin engineering and next-generation valleytronic quantum technologies. △ Less

Submitted 13 January, 2026; originally announced January 2026.

Comments: 6 pages, 3 figures

Phase Frustration Induced Intrinsic Bose Glass in the Kitaev-Bose-Hubbard Model

Authors: Yi-fan Zhu, Shi-jie Yang

Abstract: We report an intrinsic "Bubble Phase" in the two-dimensional Kitaev-Bose-Hubbard model, driven purely by phase frustration between complex hopping and anisotropic pairing. By combining Inhomogeneous Gutzwiller Mean-Field Theory with a Bogoliubov-de Gennes stability analysis augmented by a novel Energy Penalty Method, we demonstrate that this phase spontaneously fragments into coherent islands, exh… ▽ More We report an intrinsic "Bubble Phase" in the two-dimensional Kitaev-Bose-Hubbard model, driven purely by phase frustration between complex hopping and anisotropic pairing. By combining Inhomogeneous Gutzwiller Mean-Field Theory with a Bogoliubov-de Gennes stability analysis augmented by a novel Energy Penalty Method, we demonstrate that this phase spontaneously fragments into coherent islands, exhibiting the hallmark Bose glass signature of finite compressibility without global superfluidity. Notably, we propose a unified framework linking disorder-driven localization to deterministic phase frustration, identifying the Bubble Phase as a pristine, disorder-free archetype of the Bose glass. Our results provide a theoretical blueprint for realizing glassy dynamics in clean quantum simulators. △ Less

Submitted 29 January, 2026; v1 submitted 9 January, 2026; originally announced January 2026.

Comments: 10 pages, 4 figures. Supplementary Material included Revised version: Manuscript restructured to follow Letter format; Supplemental Material added as a separate section/file

Lattice-Entangled Density Wave Instability and Nonthermal Melting in La$_4$Ni$_3$O$_{10}$

Authors: Chen Zhang, Lixing Chen, Qi-Yi Wu, Congcong Le, Xianxin Wu, Hao Liu, Bo Chen, Ying Zhou, Zhong-Tuo Fu, Chun-Hui Lv, Zi-Jie Xu, Hai-Long Deng, Enkang Zhang, Yinghao Zhu, H. Y. Liu, Yu-Xia Duan, Jun Zhao, Jian-Qiao Meng

Abstract: The recent discovery of high-temperature superconductivity in pressurized nickelates has renewed interest in the broken-symmetry states of their ambient-pressure parent phases, where a density-wave (DW) order emerges and competes with superconductivity, but its microscopic origin remains unresolved. Using ultrafast optical spectroscopy, we track quasiparticle relaxation dynamics across the DW tran… ▽ More The recent discovery of high-temperature superconductivity in pressurized nickelates has renewed interest in the broken-symmetry states of their ambient-pressure parent phases, where a density-wave (DW) order emerges and competes with superconductivity, but its microscopic origin remains unresolved. Using ultrafast optical spectroscopy, we track quasiparticle relaxation dynamics across the DW transition at $T_{\rm DW} \approx$ 136 K in trilayer nickelate La$_4$Ni$_3$O$_{10}$ single crystals, revealing the opening of an energy gap of $\sim$ 52 meV. Multiple coherent phonons, including $A_g$ modes near 3.88, 5.28, and 2.09 THz, display pronounced mode-selective anomalies across the transition, demonstrating that the DW is coupled with lattice degree of freedom stabilized through electron-phonon coupling. At higher excitation densities, the DW is nonthermally suppressed, producing a temperature-fluence phase diagram that parallels pressure-tuned behavior. These results establish the DW in La$_4$Ni$_3$O$_{10}$ as a lattice-entangled instability involving multiple phonon modes, and highlight ultrafast optical excitation as a powerful tool to manipulate competing orders in nickelates. △ Less

Submitted 27 December, 2025; originally announced December 2025.

Comments: 5 pages, 4 figures

Coherent Absorption Synergizes with Plasmon-Enhanced Graphene Terahertz Photo-thermoelectric Response

Authors: Runli Li, Shaojing Liu, Ximiao Wang, Hongjia Zhu, Yongsheng Zhu, Shangdong Li, Huanjun Chen

Abstract: Terahertz (THz) technology shows great potential in 6G communications and imaging, but faces challenges related to detector sensitivity, noise, and cryogenic operation. Here, we integrate interferometric enhancement of absorption (IEA) from a metal reflection layer with a graphene plasmon polariton atomic cavity (PPAC)-based photodetector. The hybrid configuration enhances the in-plane electric fi… ▽ More Terahertz (THz) technology shows great potential in 6G communications and imaging, but faces challenges related to detector sensitivity, noise, and cryogenic operation. Here, we integrate interferometric enhancement of absorption (IEA) from a metal reflection layer with a graphene plasmon polariton atomic cavity (PPAC)-based photodetector. The hybrid configuration enhances the in-plane electric field and improves the plasmon-induced thermal gradient. Numerical simulations and photoresponse measurements were employed to systematically investigate the influence of a metal reflective layer on the photothermoelectric behavior of the device, which reveals the IEA design significantly boosts the THz absorption rate in graphene nanostructures and promotes asymmetry in the lateral diffusion of hot carriers. Compared with the bare device, the responsivity of the device is enhanced by approximately 30-folds, while maintaining a response time below 130 microseconds. We further demonstrate the potential of the device to distinguish concealed liquids, advancing high-responsivity, room-temperature, and compact terahertz imaging technology. △ Less

Submitted 28 December, 2025; v1 submitted 26 December, 2025; originally announced December 2025.

Comments: 22 pages, 4 figures

Global approximations to correlation functions of strongly interacting quantum field theories

Authors: Yuanran Zhu, Yang Yu, Efekan Kökcü, Emanuel Gull, Chao Yang

Abstract: We introduce a method for constructing global approximations to correlation functions of strongly interacting quantum field theories, starting from perturbative results. The key idea is to employ interpolation method, such as the two-point Padé expansion, to interpolate the weak and strong coupling expansions of correlation function. We benchmark this many-body interpolation approach on two protot… ▽ More We introduce a method for constructing global approximations to correlation functions of strongly interacting quantum field theories, starting from perturbative results. The key idea is to employ interpolation method, such as the two-point Padé expansion, to interpolate the weak and strong coupling expansions of correlation function. We benchmark this many-body interpolation approach on two prototypical models: the lattice $φ^4$ field theory and the 2D Hubbard model. For the $φ^4$ theory, the resulting two point Padé approximants exhibit uniform and global convergence to the exact correlation function. For the Hubbard model, we show that even at second order, the Padé appproximant already provides reasonable characterization of the Matsubara Green's function for a wide range of parameters. Finally, we offer a heuristic explanation for these convergence properties based on analytic function theory. △ Less

Submitted 18 February, 2026; v1 submitted 20 December, 2025; originally announced December 2025.

Competing magnetic phases in Cr$_{3+δ}$Te$_4$ are spatially segregated

Authors: Vivek Bhartiya, Anirban Goswami, Nicholas Ng, Wei Tian, Matthew G. Tucker, Niraj Aryal, Lijun Wu, Weiguo Yin, Yimei Zhu, Milinda Abeykoon, Emmanuel Yakubu, Samaresh Guchhait, J. M. Tranquada

Abstract: Cr$_{1+x}$Te$_2$ is a self-intercalated vdW system that is of current interest for its room-temperature FM phases and tunable topological properties. Early NPD measurements on the monoclinic phase Cr$_3$Te$_4$ ($x=0.5$) presented evidence for competing FM and AFM phases. Here we apply neutron diffraction to a single crystal of Cr$_{3+δ}$Te$_4$ with $δ=-0.10$ and discover that it consists of two di… ▽ More Cr$_{1+x}$Te$_2$ is a self-intercalated vdW system that is of current interest for its room-temperature FM phases and tunable topological properties. Early NPD measurements on the monoclinic phase Cr$_3$Te$_4$ ($x=0.5$) presented evidence for competing FM and AFM phases. Here we apply neutron diffraction to a single crystal of Cr$_{3+δ}$Te$_4$ with $δ=-0.10$ and discover that it consists of two distinct monoclinic phases, one with FM order below $T_{\rm C} \approx 321$ K and another that develops AFM order below $T_{\rm N} \approx 86$ K. In contrast, we find that a crystal with $δ=-0.26$ exhibits only FM order. The single-crystal analysis is complemented by results obtained with NPD, XPD, and TEM measurements on the $δ=-0.10$ composition. From observations of spontaneous magnetostriction of opposite sign at $T_{\rm C}$ and $T_{\rm N}$, along with the TEM evidence for both monoclinic phases in a single thin ($\approx$ 100 nm) grain, we conclude that the two phases must have a fine-grained ($\lesssim$ 100 nm) intergrowth character, as might occur from high-temperature spinodal decomposition during the growth process. Calculations of the relaxed lattice structures for the FM and AFM phases with DFT provide a rationalization of the observed spontaneous magnetostrictions. Correlations between the magnitude and orientation of the magnetic moments with lattice parameter variation demonstrate that the magnetic orders are sensitive to strain, thus explaining why magnetic ordering temperatures and anisotropies can be different between bulk and thin-film samples, when the latter are subject to epitaxial strain. Our results point to the need to investigate the supposed coexistence FM and AFM phases reported elsewhere in the Cr$_{1+x}$Te$_2$ system, such as in the Cr$_5$Te$_8$ phase ($x=0.25$). △ Less

Submitted 5 December, 2025; originally announced December 2025.

Comments: 15 pages, 16 figures

Enhancement of Tc in Oxide Superconductors: Double-Bridge Mechanism of High-Tc Superconductivity and Bose-Einstein Condensation of Cooper Pairs

Authors: Jun-jie Shi, Juan Du, Yao-hui Zhu

Abstract: The cuprate Hg0.8Tl0.2Ba2Ca2Cu3O8.33 exhibits the highest superconducting transition temperature Tc of 138K. Achieving superconductivity at even higher temperatures, up to room temperature, represents the ultimate dream of humanity. As temperature increases, Cooper pairs formed through weak electron-phonon coupling will be disintegrated by the thermal motion of electrons, severely limiting the enh… ▽ More The cuprate Hg0.8Tl0.2Ba2Ca2Cu3O8.33 exhibits the highest superconducting transition temperature Tc of 138K. Achieving superconductivity at even higher temperatures, up to room temperature, represents the ultimate dream of humanity. As temperature increases, Cooper pairs formed through weak electron-phonon coupling will be disintegrated by the thermal motion of electrons, severely limiting the enhancement of Tc. It is imperative to explore new strong-coupling pairing pictures and establish novel condensation mechanism of Cooper pairs at higher temperature. Based on our recently proposed groundbreaking idea of electron e- (hole h+) pairing bridged by oxygen O (metal M) atoms, namely, the eV-scale ionic-bond-driven atom-bridge (bridge-I) e--O-e- (h+-M-h+) strong-coupling itinerant Cooper pairing formed at pseudogap temperature T*>Tc in ionic oxide superconductors, we further discover that there is an attractive interaction between two Cooper pairs induced by the bridge atom (bridge-II) located between them. It is this attraction mediated by the bridge-II atoms that promotes all the Cooper pairs within the CuO2 plane to hold together and enter the superconducting state at Tc finally. Moreover, according to the Bose-Einstein condensation theory, we find that Tc is inversely proportional to the effective mass m* of Cooper pairs, directly proportional to n2/3s (ns: the density of Cooper pairs), and linearly increases with the scattering length a<0 due to attraction between two Cooper pairs. Therefore, according to our double-bridge mechanism of high-Tc superconductivity, increasing the attraction between Cooper pair and bridge-II atom, ensuring that ns takes the optimal value, and minimizing the effective mass of the Cooper pairs are the main approaches to enhancing Tc of ionic-bonded superconductors, which opens up a new avenue with clear direction for designing higher Tc superconductors. △ Less

Submitted 7 February, 2026; v1 submitted 3 December, 2025; originally announced December 2025.

Comments: 8 pages, 4 figures

Anomalous Hall effect in an amorphous antiferromagnet with inverted hysteresis

Authors: Xiangning Du, Yuxiang Zhu, Na Chen

Abstract: Stemming from antiferromagnetic coupling, exchange bias allows inverted hysteresis in a magnetic system. Such room temperature magnetic reversal has yet to be observed in an amorphous antiferromagnet. Furthermore, the impact of this exchange bias effect on its magnetoelectric transport behavior remains a mystery. Here we discovered a zero-field magnetization switching effect in an exchange-biased… ▽ More Stemming from antiferromagnetic coupling, exchange bias allows inverted hysteresis in a magnetic system. Such room temperature magnetic reversal has yet to be observed in an amorphous antiferromagnet. Furthermore, the impact of this exchange bias effect on its magnetoelectric transport behavior remains a mystery. Here we discovered a zero-field magnetization switching effect in an exchange-biased amorphous antiferromagnet with inverted magnetic hysteresis. This zero-field magnetic reversal was further evidenced by its inverted large anomalous Hall effect. Notably, this collective spin flipping at zero field can occur at room temperature or above room temperature, which may be associated with quantum interference effect due to thermal fluctuation enhanced disorder. Our experimental results offer a way to design room-temperature exchange-biased amorphous antiferromagnets with zero-field multi magnetic-states and large anomalous Hall effect, holding potential for low-power and high-density memory applications. △ Less

Submitted 2 December, 2025; originally announced December 2025.

Comments: 9 pages, 4 figures

Manipulating fractional Shapiro steps in twisted cuprate Josephson junctions

Authors: Yuying Zhu, Heng Wang, Ding Zhang, Qi-Kun Xue

Abstract: High$-$quality Josephson junctions made of twisted cuprate superconductors offer unprecedented opportunities in addressing fundamental problems and realizing next$-$generation superconducting devices at relatively high temperatures. Whether or not the twisted cuprates possess high$-$temperature topological superconductivity remains an outstanding issue. Here, we tackle this problem via an in$-$dep… ▽ More High$-$quality Josephson junctions made of twisted cuprate superconductors offer unprecedented opportunities in addressing fundamental problems and realizing next$-$generation superconducting devices at relatively high temperatures. Whether or not the twisted cuprates possess high$-$temperature topological superconductivity remains an outstanding issue. Here, we tackle this problem via an in$-$depth study of the key predicted feature $--$ half$-$integer Shapiro steps. We show that half$-$integer Shapiro steps do occur in samples at a twist angle of 45$^\circ$ but are unstable with thermal cycling. Interestingly, fractional steps can be introduced by training the sample with a small magnetic field or annealing with a large electrical current, attesting to a tunable current$-$phase relation (CPR) in twisted cuprates. We extend the current annealing to realize fractional steps with odd denominators too. Furthermore, half$-$integer steps can be induced in the regime that is well beyond the expectation of topological superconductivity, favoring an alternative mechanism involving trapped vortices. Our results not only caution the direct association of half$-$integer Shapiro steps with the exotic mechanism but also open a distinct pathway toward a Josephson junction with electrically tunable CPR at high temperatures. △ Less

Submitted 1 December, 2025; originally announced December 2025.

Comments: 23 pages, 4 figures

On The Finetuning of MLIPs Through the Lens of Iterated Maps With BPTT

Authors: Evan Dramko, Yizhi Zhu, Aleksandar Krivokapic, Geoffroy Hautier, Thomas Reps, Christopher Jermaine, Anastasios Kyrillidis

Abstract: Accurate structural relaxation is critical for advanced materials design. Traditional approaches built on physics-derived first-principles calculations are computationally expensive, motivating the creation of machine-learning interatomic potentials (MLIPs), which strive to faithfully reproduce first-principles computed forces. We propose a fine-tuning method to be used on a pretrained MLIP in whi… ▽ More Accurate structural relaxation is critical for advanced materials design. Traditional approaches built on physics-derived first-principles calculations are computationally expensive, motivating the creation of machine-learning interatomic potentials (MLIPs), which strive to faithfully reproduce first-principles computed forces. We propose a fine-tuning method to be used on a pretrained MLIP in which we create a fully-differentiable end-to-end simulation loop that optimizes the predicted final structures directly. Trajectories are unrolled and gradients are tracked through the entire relaxation. We show that this method consistently improves performance across all evaluated pretrained models; resulting in an average of roughly 32% reduction in prediction error. Interestingly, we show the process is robust to substantial variation in the relaxation setup, achieving negligibly different results across varied hyperparameter and procedural modifications. △ Less

Submitted 31 January, 2026; v1 submitted 30 November, 2025; originally announced December 2025.

Comments: 9 main pages, total of 15 pages. 6 tables, 6 Figures

MSC Class: 68T07 ACM Class: I.2.1; J.2

Terahertz oscillation of $180^{\circ}$ domain walls in ferroelectric membranes

Authors: Xiangwei Guo, Jiaxuan Wu, Yujie Zhu, Aiden Ross, Bo Wang, Paul G. Evans, Long-Qing Chen, Jia-Mian Hu

Abstract: A fundamentally intriguing yet not well understood topic in the field of ferroelectrics is the collective excitation of domain walls (DWs), with potential applications to DW-based nanoelectronic and optoelectronic devices. Here we use dynamical phase-field simulations to identify the collective modes of an Ising-type $180^{\circ}$ DW in a uniaxially strained BaTiO3 membrane. The membrane concurren… ▽ More A fundamentally intriguing yet not well understood topic in the field of ferroelectrics is the collective excitation of domain walls (DWs), with potential applications to DW-based nanoelectronic and optoelectronic devices. Here we use dynamical phase-field simulations to identify the collective modes of an Ising-type $180^{\circ}$ DW in a uniaxially strained BaTiO3 membrane. The membrane concurrently functions as a cavity for polarization and acoustic waves and permits cavity-enhanced resonant excitation of polarization waves. The simulation reveals an unconventional DW sliding mode that exhibits a depolarization-field-driven nonzero resonant frequency and a dynamically changing internal structure during sliding. These features differ from the previously reported DW sliding modes that have a zero resonant frequency or a rigid internal structure. An analytical model is developed to quantitatively understand the origin of this new DW mode and predict the effect of strain on the mode frequency. The analytically predicted strain dependence of the frequencies of the unconventional DW sliding mode and the DW breathing mode, both in the terahertz regime, is further validated by dynamical phase-field simulations. These results provide new insights into the high-frequency dynamics of ferroelectric DWs and suggest opportunities for realizing on-demand control of phonon-DW resonance by strain, and more broadly, discovering and controlling unconventional DW modes in conventional domain patterns, with applications to reconfigurable THz and optical devices. △ Less

Submitted 22 November, 2025; originally announced November 2025.

Decoupling interface and thickness effects on hydrogen absorption in V/MgO: experiments and DFT

Authors: Qiuxiang Zhang, Yan Zhu, Xiaofang Peng, Weiguang Yang, Yuping Le, Xiao Xin

Abstract: We report combined experimental and first principles investigations of hydrogen absorption in epitaxial vanadium films on MgO(001) with nominal thicknesses of 10 nm and 50 nm. In - situ optical transmission and four - probe resistance isotherms show that the 50 nm film reproduces bulk like behavior with a clear first order alpha-beta hydride transition, the formation enthalpy and entropy gradually… ▽ More We report combined experimental and first principles investigations of hydrogen absorption in epitaxial vanadium films on MgO(001) with nominal thicknesses of 10 nm and 50 nm. In - situ optical transmission and four - probe resistance isotherms show that the 50 nm film reproduces bulk like behavior with a clear first order alpha-beta hydride transition, the formation enthalpy and entropy gradually decrease with increasing hydrogen concentration. The 10 nm film, by contrast, displays continuous uptake without plateaus, with formation enthalpies H that are relatively close in magnitude to the 50 nm film (both exhibiting exothermic behavior in the range of approximately 0.5 to 0.3 eV/H), but with a more negative entropy change S (larger S) indicating reduced configurational freedom for hydrogen in the ultrathin limit; the critical temperature for phase coexistence is suppressed below 400 K. Density functional theory calculations on MgO V superlattices (Vn/(MgO)n, n = 3,5,7) reveal pronounced V 3d and O 2p hybridization and interfacial charge redistribution that weaken hydrogen binding near the interface and recover toward bulk values with increasing V thickness. These results indicate that interfacial electronic structure, in addition to finite size energetics, governs hydride stability in ultrathin V films and that layer - thickness and interface engineering can tune reversible hydrogen uptake. △ Less

Submitted 9 November, 2025; originally announced November 2025.

Mixed-State Measurement-Induced Phase Transitions in Imaginary-Time Dynamics

Authors: Yi-Ming Ding, Zenan Liu, Xu Tian, Zhe Wang, Yanzhang Zhu, Zheng Yan

Abstract: Mixed-state phase transitions have recently attracted growing attention as a new frontier in nonequilibrium quantum matter and quantum information. In this work, we introduce the measurement-dressed imaginary-time evolution (MDITE) as a novel framework to explore mixed-state quantum phases and decoherence-driven criticality. In this setup, alternating imaginary-time evolution and projective measur… ▽ More Mixed-state phase transitions have recently attracted growing attention as a new frontier in nonequilibrium quantum matter and quantum information. In this work, we introduce the measurement-dressed imaginary-time evolution (MDITE) as a novel framework to explore mixed-state quantum phases and decoherence-driven criticality. In this setup, alternating imaginary-time evolution and projective measurements generate a competition between coherence-restoring dynamics and decoherence-inducing events. While reminiscent of monitored unitary circuits, MDITE fundamentally differs in that the physics is encoded in decoherent mixed states rather than in quantum trajectories. Using numerical simulations of the one-dimensional transverse-field Ising model and the two-dimensional columnar dimerized Heisenberg model, we demonstrate the existence of this kind of mixed-state phase transitions. Notably, these transitions appear to exhibit critical behavior inconsistent with known universality classes. In addition, we provide a diagrammatic representation of the evolving state, which naturally enables efficient studies of MDITE with quantum Monte Carlo and other many-body numerical methods, thereby extending investigations of mixed-state phase transitions to large-scale and higher-dimensional systems. Our results establish MDITE as a versatile platform for investigating mixed-state criticality and uncover new classes of decoherence-driven nonequilibrium phase transitions. △ Less

Submitted 4 March, 2026; v1 submitted 6 November, 2025; originally announced November 2025.

Comments: (14 + 10) pages, 17 figures

Giant field-tunable nonlinear Hall effect by Lorentz skew scattering in a graphene moire superlattice

Authors: Pan He, Min Zhang, Yue-Xin Huang, Jingru Li, Ruibo Wang, Shiwen Zhao, Chaoyu Pan, Yuxiao Gao, Takashi Taniguchi, Kenji Watanabe, Junxiong Hu, Yinyan Zhu, Cong Xiao, X. C. Xie, Shengyuan A. Yang, Jian Shen

Abstract: The nonlinear Hall effect (NHE) can enable rectification and energy harvesting, and its control by external fields, including gate, strain and magnetic field, has been pursued intensively. However, existing tuning pathways rely predominantly on fully quantum mechanical effects and are typically inefficient, resulting in weak NHE signals that limit further progress. In this work, we report the disc… ▽ More The nonlinear Hall effect (NHE) can enable rectification and energy harvesting, and its control by external fields, including gate, strain and magnetic field, has been pursued intensively. However, existing tuning pathways rely predominantly on fully quantum mechanical effects and are typically inefficient, resulting in weak NHE signals that limit further progress. In this work, we report the discovery of a distinct type of NHE in a graphene-hBN moire superlattice, which arises from a classical-quantum cooperative effect called Lorentz skew scattering (LSK), induced by a perpendicular magnetic field. This field-driven NHE exhibits a linear dependence on magnetic field and a pronounced unidirectional angular dependence. Remarkably, its magnitude reaches up to 32% of the linear Hall signal. We show that this giant, field-tunable NHE originating from LSK follows a unique quartic scaling law and produces a record-high nonlinear Hall conductivity (36000 μmV-1Ω-1) near van Hove singularities of moire minibands, which is over an order of magnitude larger than all previously reported NHEs. Our findings establish an efficient, magnetic-field-driven route to giant Hall rectification in high-mobility materials, offering a broadly applicable paradigm for modulating the NHE beyond electrostatic gating. △ Less

Submitted 5 November, 2025; originally announced November 2025.

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

Strong coupling between coherent ferrons and cavity acoustic phonons

Authors: Yujie Zhu, Jiaxuan Wu, Anna N. Morozovska, Eugene A. Eliseev, Yulian M. Vysochanskii, Venkatraman Gopalan, Long-Qing Chen, Xufeng Zhang, Wei Zhang, Jia-Mian Hu

Abstract: Coherent ferrons, the quanta of polarization waves, can potentially be hybridized with many other quasiparticles for achieving novel control modalities in quantum communication, computing, and sensing. Here, we theoretically demonstrate a new hybridized state resulting from the strong coupling between fundamental-mode (wavenumber is zero) coherent ferrons and cavity bulk acoustic phonons. Using a… ▽ More Coherent ferrons, the quanta of polarization waves, can potentially be hybridized with many other quasiparticles for achieving novel control modalities in quantum communication, computing, and sensing. Here, we theoretically demonstrate a new hybridized state resulting from the strong coupling between fundamental-mode (wavenumber is zero) coherent ferrons and cavity bulk acoustic phonons. Using a van der Waals ferroelectric CuInP2S6 membrane as an example, we predict an ultra-strong ferron-phonon coupling at room temperature, where the coupling strength g_c reaches over 10% of the resonant frequency ω_0. We also predict an in-situ electric-field-driven bistable control of mode-specific ferron-phonon hybridization via ferroelectric switching. We further show that, CuInP2S6 allows for reaching the fundamentally intriguing but challenging deep strong coupling regime (i.e., g_c/ω_0>1) near the ferroelectric-to-paraelectric phase transition. Our findings establish the theoretical basis for exploiting coherent ferrons as a new contender for hybrid quantum system with strong and highly tunable coherent coupling. △ Less

Submitted 2 November, 2025; originally announced November 2025.

On-chip cavity electro-acoustics using lithium niobate phononic crystal resonators

Authors: Jun Ji, Joseph G. Thomas, Zichen Xi, Liyang Jin, Dayrl P. Briggs, Ivan I. Kravchenko, Arya G. Pour, Liyan Zhu, Yizheng Zhu, Linbo Shao

Abstract: Mechanical systems are pivotal in quantum technologies because of their long coherent time and versatile coupling to qubit systems. So far, the coherent and dynamic control of gigahertz-frequency mechanical modes mostly relies on optomechanical coupling and piezoelectric coupling to superconducting qubits. Here, we demonstrate on-chip cavity electro-acoustic dynamics using our microwave-frequency… ▽ More Mechanical systems are pivotal in quantum technologies because of their long coherent time and versatile coupling to qubit systems. So far, the coherent and dynamic control of gigahertz-frequency mechanical modes mostly relies on optomechanical coupling and piezoelectric coupling to superconducting qubits. Here, we demonstrate on-chip cavity electro-acoustic dynamics using our microwave-frequency electrically-modulated phononic-crystal (PnC) resonators on lithium niobate (LN). Leveraging the high dispersion of PnC, our phononic modes space unevenly in the frequency spectrum, emulating atomic energy levels. Atomic-like transitions between different phononic modes are achieved by applying electrical fields to modulate phononic modes via nonlinear piezoelectricity of LN. Among two modes, we demonstrate Autler-Townes splitting (ATS), alternating current (a.c.) Stark shift, and Rabi oscillation with a maximum cooperativity of 4.18. Extending to three modes, we achieve non-reciprocal frequency conversions with an isolation up to 20 dB. Nonreciprocity can be tuned by the time delay between the two modulating pulses. Our cavity electro-acoustic platform could find broad applications in sensing, microwave signal processing, phononic computing, and quantum acoustics. △ Less

Submitted 13 April, 2026; v1 submitted 31 October, 2025; originally announced October 2025.

Temperature dependent ferroelectricity in strained KTaO3 with machine learned force field

Authors: Yu Zhu, Luigi Ranalli, Taikang Chen, Wei Ren, Cesare Franchini

Abstract: Ferroelectric materials are a class of dielectrics that exhibit spontaneous polarization which can be reversed under an external electric field. The emergence of ferroelectric order in incipient ferroelectrics is a topic of considerable interest from both fundamental and applied perspectives. Among the various strategies explored, strain engineering has been proven to be a powerful method for tuni… ▽ More Ferroelectric materials are a class of dielectrics that exhibit spontaneous polarization which can be reversed under an external electric field. The emergence of ferroelectric order in incipient ferroelectrics is a topic of considerable interest from both fundamental and applied perspectives. Among the various strategies explored, strain engineering has been proven to be a powerful method for tuning ferroelectric polarization in materials. In the case of KTaO3, first principles calculations have suggested that strain can drive a ferroelectric phase transition. In this study, we investigate the impact of in-plane uniaxial and biaxial strain, ranging from 0% to 1%, on pristine KTaO3 to explore its potential for ferroelectricity induction via inversion symmetry breaking. By integrating density functional theory calculations with the stochastic self-consistent harmonic approximation assisted by on the fly machine learned force field, we obtain accurate structural information and dynamical properties under varying strain conditions while incorporating higher-order anharmonic effects. Employing the Berry phase method, we obtained the ferroelectric polarization of the strained structures over the entire temperature range up to 300 K. Our findings provide valuable insights into the role of strain in stabilizing ferroelectricity in KTaO3, offering guidance for future experimental and theoretical studies on strain-engineered ferroelectric materials. △ Less

Submitted 30 October, 2025; originally announced October 2025.

Magneto-optical spectroscopy based on pump-probe strobe light

Authors: Shihao Zhou, Yujie Zhu, Chunli Tang, Rui Sun, Junming Wu, Yuzan Xiong, Ingrid E. Russell, Yi Li, Dali Sun, Frank Tsui, Binbin Yang, Valentine Novosad, Jia-Mian Hu, Wencan Jin, Wei Zhang

Abstract: We demonstrate a pump-probe strobe light spectroscopy for sensitive detection of magneto-optical dynamics in the context of hybrid magnonics. The technique uses a combinatorial microwave-optical pump-probe scheme, leveraging both the high-energy resolution of microwaves and the high-efficiency detection using optical photons. In contrast to conventional stroboscopy using a continuous-wave light, w… ▽ More We demonstrate a pump-probe strobe light spectroscopy for sensitive detection of magneto-optical dynamics in the context of hybrid magnonics. The technique uses a combinatorial microwave-optical pump-probe scheme, leveraging both the high-energy resolution of microwaves and the high-efficiency detection using optical photons. In contrast to conventional stroboscopy using a continuous-wave light, we apply microwave and optical pulses with varying pulse widths, and demonstrate magnetooptical detection of magnetization dynamics in Y3Fe5O12 films. The detected magneto-optical signals strongly depend on the characteristics of both the microwave and the optical pulses as well as their relative time delays. We show that good magneto-optical sensitivity and coherent stroboscopic character are maintained even at a microwave pump pulse of 1.5 ns and an optical probe pulse of 80 ps, under a 7 megahertz clock rate, corresponding to a pump-probe footprint of ~1% in one detection cycle. Our results show that time-dependent strobe light measurement of magnetization dynamics can be achieved in the gigahertz frequency range under a pump-probe detection scheme. △ Less

Submitted 28 October, 2025; originally announced October 2025.

Comments: 14 pages, 10 figures

Colossal Cryogenic Electro-Optic Response Through Metastability in Strained BaTiO$_{3}$ Thin Films

Authors: Albert Suceava, Sankalpa Hazra, Aiden Ross, Ian Reed Philippi, Dylan Sotir, Brynn Brower, Lei Ding, Yingxin Zhu, Zhiyu Zhang, Himirkanti Sarkar, Saugata Sarker, Yang Yang, Suchismita Sarker, Vladimir A. Stoica, Darrell G. Schlom, Long-Qing Chen, Venkatraman Gopalan

Abstract: The search for thin film electro-optic (EO) materials that can retain superior performance under cryogenic conditions has become critical for quantum computing. Barium titanate thin films show large linear EO coefficients in the tetragonal phase at room temperature, which is severely degraded down to ~200 pm V$^{-1}$ in the rhombohedral phase at cryogenic temperatures. There is immense interest in… ▽ More The search for thin film electro-optic (EO) materials that can retain superior performance under cryogenic conditions has become critical for quantum computing. Barium titanate thin films show large linear EO coefficients in the tetragonal phase at room temperature, which is severely degraded down to ~200 pm V$^{-1}$ in the rhombohedral phase at cryogenic temperatures. There is immense interest in manipulating these phase transformations and retaining superior EO properties down to liquid helium temperature. Utilizing the thermodynamic theory of optical properties, a large low-temperature EO response is designed by engineering the energetic competition between different ferroelectric phases, leading to a low-symmetry monoclinic phase with a massive EO response. The existence of this phase is demonstrated in a strain-tuned BaTiO$_{3}$ thin film that exhibits a linear EO coefficient of 2516 +/- 100 pm V$^{-1}$ at 5 K, which is an order of magnitude higher than the best reported performance thus far. Importantly, the EO coefficient increases by 100x during cooling, unlike the conventional films, where it degrades. Further, at the lowest temperature, significant higher order EO responses also emerge. These results represent a new framework for designing materials with property enhancements by stabilizing highly tunable metastable phases with strain. Copyright 2025 The Author(s). Advanced Materials published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. (A. Suceava, S. Hazra, A. Ross, et al. "Colossal Cryogenic Electro-Optic Response Through Metastability in Strained BaTiO3 Thin Films." Adv. Mater. (2025): e07564. https://doi.org/10.1002/adma.202507564) △ Less

Submitted 15 October, 2025; originally announced October 2025.

Comments: 44 pages, 4 figures, supplemental document included

Tunable magnon-phonon cavity via structural phase transition

Authors: Chunli Tang, Yujie Zhu, Dayne Sasaki, Jiaxuan Wu, Harshil Goyal, Yuzan Xiong, Masoud Mahjouri-Samani, Xiang Meng, Jia-Mian Hu, Yayoi Takamura, Wei Zhang, Wencan Jin

Abstract: Strong coupling between two quantized excitations in a cavity has the potential to lead to hybridized states that bestow novel quantum phenomena as required for emerging applications. In particular, tunable hybrid magnon-phonon cavities with precise control knobs are in pressing demand for developing quantum functionalities in solid-state platforms. Here, using a combination of synthesis and chara… ▽ More Strong coupling between two quantized excitations in a cavity has the potential to lead to hybridized states that bestow novel quantum phenomena as required for emerging applications. In particular, tunable hybrid magnon-phonon cavities with precise control knobs are in pressing demand for developing quantum functionalities in solid-state platforms. Here, using a combination of synthesis and characterization tools, we present an epitaxial La0.7Sr0.3MnO3/SrTiO3 (LSMO/STO) heterostructure that manifests strong couplings between the Kittel magnon and the transverse acoustic phonon. Remarkably, leveraging the magnetoelastic interaction at the epitaxial interface, we demonstrate that when the STO substrate undergoes a cubic-to-tetragonal phase transition at ~105 K, the Kittel magnon of the LSMO thin film splits into three bands due to anisotropic structural strains along the [100], [010], and [001] crystalline axes, hence, resulting in an array of non-degenerate, hybridized magnon-phonon modes. Moreover, we develop an analytical model that can reproduce the interfacial strain-induced magnon splitting and the strength of magnon-phonon coupling. Our work highlights structural phase transitions as a sensitive trigger for generating multistate magnon-phonon hybridization in high-quality magnetoelastic oxide heterostructures - a new route for implementing strain-mediated hybrid magnonics in phononic systems with potential applications in coherent energy and signal transduction. △ Less

Submitted 7 October, 2025; originally announced October 2025.

BigBang-Proton Technical Report: Next-Word-Prediction is Scientific Multitask Learner

Authors: Hengkui Wu, Liujiang Liu, Jihua He, Qihao Wang, Keke Zhao, Shuyang Hu, Renle Fu, Dahao Liang, Lingyu Zeng, Bruce Liu, Yuan Liu, Jin Zhan, Jiaqiang Niu, Xinglong Jia, Yaqin Hu, Wenjun Ji, Panpan Chi, Ken Chen, Hengyuan Wu, Yingsi Xin, Yongfeng Zhu, Yuexin Wang, Manqi Ruan, Ningtao Bian, Xiaohua Wu , et al. (1 additional authors not shown)

Abstract: We introduce BigBang-Proton, a unified sequence-based architecture for auto-regressive language modeling pretrained on cross-scale, cross-structure, cross-discipline real-world scientific tasks to construct a scientific multi-task learner. BigBang-Proton incorporates three fundamental innovations compared to mainstream general-purpose LLMs: Theory-Experiment Learning paradigm aligns large-scale nu… ▽ More We introduce BigBang-Proton, a unified sequence-based architecture for auto-regressive language modeling pretrained on cross-scale, cross-structure, cross-discipline real-world scientific tasks to construct a scientific multi-task learner. BigBang-Proton incorporates three fundamental innovations compared to mainstream general-purpose LLMs: Theory-Experiment Learning paradigm aligns large-scale numerical experimental data with theoretical text corpora; Binary Patch Encoding replaces byte pair encoding(BPE) tokenization; Monte Carlo Attention substitutes traditional transformer architectures. Through next-word-prediction pretraining on cross-discipline scientific datasets of real-world problems mixed with general textual corpus, followed by fine-tuning and inference on downstream tasks, BigBang-Proton demonstrates 100\% accuracy in up to 50-digit arithmetic addition operations, performance on par with leading specialized models in particle physics jet tagging, matching MAE of specialized models in inter-atomic potential simulation, performance comparable to traditional spatiotemporal models in water quality prediction, and benchmark-exceeding performance in genome modeling. These results prove that language-guided scientific computing can match or exceed the performance of task-specific scientific models while maintaining multitask learning capabilities. We further hypothesize to scale the pretraining to the universe scale as a fundamental step toward developing material world foundational model. △ Less

Submitted 30 September, 2025; originally announced October 2025.

Comments: 93 pages, 39 figures

MSC Class: 68T05; 68T50; 00A69; 94A99 ACM Class: I.2.6; I.2.7; J.2; I.6.3; K.4.1

Quantum superconducting diode effect with perfect efficiency above liquid-nitrogen temperature

Authors: Heng Wang, Yuying Zhu, Zhonghua Bai, Zhaozheng Lyu, Jiangang Yang, Lin Zhao, X. J. Zhou, Genda Gu, Qi-Kun Xue, Ding Zhang

Abstract: The superconducting diode is an emergent device that juggles between the Cooper-paired state and the resistive state with unpaired quasiparticles. Here, we report a quantum version of the superconducting diode, which operates solely between Cooper-paired states. This type of quantum superconducting diode takes advantage of quantized Shapiro steps for digitized outputs. The devices consist of twist… ▽ More The superconducting diode is an emergent device that juggles between the Cooper-paired state and the resistive state with unpaired quasiparticles. Here, we report a quantum version of the superconducting diode, which operates solely between Cooper-paired states. This type of quantum superconducting diode takes advantage of quantized Shapiro steps for digitized outputs. The devices consist of twisted high-temperature cuprate superconductors, and exhibit the following distinguished characteristics: (1) a non-reciprocal diode behavior can be simply initiated by current training without applying an external magnetic field; (2) perfect diode efficiency is achieved under microwave irradiations at a record-high working temperature; (3) the quantized nature of the output offers high resilience against input noises. These features open up unprecedented opportunities toward developing practical dissipationless quantum circuits. △ Less

Submitted 29 September, 2025; originally announced September 2025.

ADAPT: Lightweight, Long-Range Machine Learning Force Fields Without Graphs

Authors: Evan Dramko, Yihuang Xiong, Yizhi Zhu, Geoffroy Hautier, Thomas Reps, Christopher Jermaine, Anastasios Kyrillidis

Abstract: Point defects play a central role in driving the properties of materials. First-principles methods are widely used to compute defect energetics and structures, including at scale for high-throughput defect databases. However, these methods are computationally expensive, making machine-learning force fields (MLFFs) an attractive alternative for accelerating structural relaxations. Most existing MLF… ▽ More Point defects play a central role in driving the properties of materials. First-principles methods are widely used to compute defect energetics and structures, including at scale for high-throughput defect databases. However, these methods are computationally expensive, making machine-learning force fields (MLFFs) an attractive alternative for accelerating structural relaxations. Most existing MLFFs are based on graph neural networks (GNNs), which can suffer from oversmoothing and poor representation of long-range interactions. Both of these issues are especially of concern when modeling point defects. To address these challenges, we introduce the Accelerated Deep Atomic Potential Transformer (ADAPT), an MLFF that replaces graph representations with a direct coordinates-in-space formulation and explicitly considers all pairwise atomic interactions. Atoms are treated as tokens, with a Transformer encoder modeling their interactions. Applied to a dataset of silicon point defects, ADAPT achieves a roughly 33 percent reduction in both force and energy prediction errors relative to a state-of-the-art GNN-based model, while requiring only a fraction of the computational cost. △ Less

Submitted 28 September, 2025; originally announced September 2025.

Comments: 14 total pages of main content, 4 of references, 3 in Appendix

MSC Class: 68Q32 (Primary); 68T07 (Secondary)

Barrier Electrostatics and Contact Engineering for Ultra-Wide Bandgap AlGaN HFETs

Authors: Seungheon Shin, Can Cao, Jon Pratt, Yinxuan Zhu, Brianna A. Klein, Andrew Armstrong, Andrew A. Allerman, Siddharth Rajan

Abstract: We report ultra-wide bandgap (UWBG) AlGaN heterostructure field-effect transistors (HFETs) exhibiting a high breakdown field (> 5.3 MV/cm) and a low contact resistance (~1.55 Ωmm), tailored for high-power radiofrequency applications. A split-doped barrier architecture, employing two distinct doping concentrations, is shown to enhance both the breakdown field and contact resistance. This design ena… ▽ More We report ultra-wide bandgap (UWBG) AlGaN heterostructure field-effect transistors (HFETs) exhibiting a high breakdown field (> 5.3 MV/cm) and a low contact resistance (~1.55 Ωmm), tailored for high-power radiofrequency applications. A split-doped barrier architecture, employing two distinct doping concentrations, is shown to enhance both the breakdown field and contact resistance. This design enables a state-of-the-art combination of maximum drain current (487 mA/mm) and breakdown field, along with a high cutoff frequency of 7.2 GHz. These results demonstrate a viable pathway to push device performance toward the material limits while minimizing contact resistance in UWBG AlGaN HFETs, paving the way for next-generation high-power, high-frequency applications. △ Less

Submitted 23 September, 2025; v1 submitted 19 September, 2025; originally announced September 2025.

Comments: 11 pages, 10 figures

Coupled Infrared Imaging and Multiphysics Modeling to Predict Three-Dimensional Thermal Characteristics during Selective Laser Melting

Authors: Vijay Kumar, Kaitlyn M. Mullin, Hyunggon Park, Matthew Gerigk, Andrew Bresk, Tresa M. Pollock, Yangying Zhu

Abstract: Laser heating during additive manufacturing (AM) induces extreme and transient thermal conditions which critically influence the microstructure evolution and mechanical properties of the resulting component. However, accurately resolving these conditions with sufficient spatiotemporal accuracy remains a central challenge. We demonstrate a unique approach that couples high-speed infrared imaging, d… ▽ More Laser heating during additive manufacturing (AM) induces extreme and transient thermal conditions which critically influence the microstructure evolution and mechanical properties of the resulting component. However, accurately resolving these conditions with sufficient spatiotemporal accuracy remains a central challenge. We demonstrate a unique approach that couples high-speed infrared imaging, during selective laser melting of MAR-M247, with a transient three-dimensional (3D) multiphysics simulation to reconstruct the dynamic sub-surface temperature distribution of the melt pool. This integrated framework enables the estimation of experimentally-validated, 3D solidification conditions-including solidification velocities and cooling rates-at the solid-liquid interface while also significantly lowering computational cost. By quantifying solidification conditions, we predict variations in microstructure size and orientation driven by laser processing parameters and validate them with ex situ scanning electron microscopy and electron backscatter diffraction maps. Our findings substantiate that an integrated experimental-computational approach is crucial to realize in situ prediction and optimization of microstructures in commercial AM. △ Less

Submitted 15 September, 2025; originally announced September 2025.

Comments: 28 pages, 7 Figures

Tuning Magneto-Optical Zero-Reflection via Dual-Channel Hybrid Magnonics

Authors: Andrew Christy, Yujie Zhu, Yi Li, Yuzan Xiong, Tao Qu, Frank Tsui, James F. Cahoon, Binbin Yang, Jia-Mian Hu, Wei Zhang

Abstract: Multi-channel coupling in hybrid systems makes an attractive testbed not only because of the distinct advantages entailed in each constituent mode, but also the opportunity to leverage interference among the various excitation pathways. Here, via combined analytical calculation and experiment, we demonstrate that the phase of the magnetization precession at the interface of a coupled yttrium iron… ▽ More Multi-channel coupling in hybrid systems makes an attractive testbed not only because of the distinct advantages entailed in each constituent mode, but also the opportunity to leverage interference among the various excitation pathways. Here, via combined analytical calculation and experiment, we demonstrate that the phase of the magnetization precession at the interface of a coupled yttrium iron garnet(YIG)/permalloy(Py) bilayer is collectively controlled by the microwave photon field torque and the interlayer exchange torque, manifesting a coherent, dual-channel excitation scheme that effectively tunes the magneto-optic spectrum. The different torque contributions vary with frequency, external bias field, and types of interlayer coupling between YIG and Py, which further results in destructive or constructive interferences between the two excitation channels, and hence, selective suppression or amplification of the hybridized magnon modes. △ Less

Submitted 5 September, 2025; originally announced September 2025.

Comments: 8 pages, 5 figures

Nature of magnetic exchange interactions in kagome antiferromagnets FeGe and FeSn

Authors: Yitao Zheng, Yan Zhu, Jun Hu

Abstract: Magnetic exchange interactions (MEIs) in kagome magnets exhibit rich features due to the interplay of charge, spin, orbital and lattice degrees of freedom, giving rise to a variety of exotic quantum states. Through first-principles calculations, we systematically investigate the MEIs in kagome antiferromagnets FeGe and FeSn. While the antiferromagnetic order originates from the interlayer coupling… ▽ More Magnetic exchange interactions (MEIs) in kagome magnets exhibit rich features due to the interplay of charge, spin, orbital and lattice degrees of freedom, giving rise to a variety of exotic quantum states. Through first-principles calculations, we systematically investigate the MEIs in kagome antiferromagnets FeGe and FeSn. While the antiferromagnetic order originates from the interlayer coupling between neighboring kagome layers, Fe atoms within each kagome layer couple ferromagnetically, driven by the competition between ferromagnetically favorable direct MEIs and antiferromagnetically favorable Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions. The stronger direct MEIs but weaker RKKY interactions in FeGe result in a substantially higher Néel temperature with respect to FeSn. Interestingly, the nearest neighboring exchange energy in both materials approximately linearly depends on the Fe-Fe bond length, so that moderate compressive strain can significantly enhance their Néel temperatures. △ Less

Submitted 4 September, 2025; originally announced September 2025.

Comments: 18 pages, 9 figures

Journal ref: Phys. Rev. B 113, 094445 (2026)

Inverse Elastica: A Theoretical Framework for Inverse Design of Morphing Slender Structures

Authors: JiaHao Li, Weicheng Huang, YinBo Zhu, Luxia Yu, Xiaohao Sun, Mingchao Liu, HengAn Wu

Abstract: Inverse design of morphing slender structures with programmable curvature has significant applications in various engineering fields. Most existing studies formulate it as an optimization problem, which requires repeatedly solving the forward equations to identify optimal designs. Such methods, however, are computationally intensive and often susceptible to local minima issues. In contrast, solvin… ▽ More Inverse design of morphing slender structures with programmable curvature has significant applications in various engineering fields. Most existing studies formulate it as an optimization problem, which requires repeatedly solving the forward equations to identify optimal designs. Such methods, however, are computationally intensive and often susceptible to local minima issues. In contrast, solving the inverse problem theoretically, which can bypass the need for optimizations, is highly efficient yet remains challenging, particularly for cases involving arbitrary boundary conditions (BCs). Here, we develop a systematic theoretical framework, termed inverse elastica, for the direct determination of the undeformed configuration from a target deformed shape along with prescribed BCs. Building upon the classical elastica, inverse elastica is derived by supplementing the geometric equations of undeformed configurations. The framework shows three key features: reduced nonlinearity, solution multiplicity, and inverse loading. These principles are demonstrated through two representative models: an analytical solution for a two-dimensional arc and a numerical continuation study of the inverse loading of a three-dimensional helical spring. Furthermore, we develop a theory-assisted optimization strategy for cases in which the constrains of the undeformed configurations cannot be directly formulated as BCs. Using this strategy, we achieve rational inverse design of complex spatial curves and curve-discretized surfaces with varying Gaussian curvatures. Our theoretical predictions are validated through both discrete elastic rod simulations and experiments. △ Less

Submitted 27 August, 2025; originally announced August 2025.

Comments: 29 pages, 11 figures

Thermoelectric evidence of the electronic structure changes from the charge-density-wave transition in FeGe

Authors: Kaila Jenkins, Yuan Zhu, Dechen Zhang, Guoxin Zheng, Kuan-Wen Chen, Aaron Chan, Sijie Xu, Mason L. Klemm, Bin Gao, Ming Yi, Pengcheng Dai, Lu Li

Abstract: Kagome metals provide a material platform for probing new correlated quantum phenomena due to the naturally incorporated linear dispersions, flat bands, and Van Hove singularities in their electronic structures. Among these quantum phenomena is the charge density wave (CDW), or the distortion of the lattice structure due to the motion of correlated electrons through the material. CDWs lower the en… ▽ More Kagome metals provide a material platform for probing new correlated quantum phenomena due to the naturally incorporated linear dispersions, flat bands, and Van Hove singularities in their electronic structures. Among these quantum phenomena is the charge density wave (CDW), or the distortion of the lattice structure due to the motion of correlated electrons through the material. CDWs lower the energy of the compound, creating an energy gap that facilitates behaviors akin to superconductivity, nonlinear transport, or other quantum correlated phenomena. The kagome metal FeGe has been shown to host a CDW transition at approximately 100 K, and its occurrence is strongly influenced by the sample annealing conditions. However, a notable gap in the literature is the lack of clear thermoelectric transport evidence for electronic structure changes associated with this CDW transition. Here we present evidence of electron behavior modification due to annealing disorder via thermoelectric measurements on FeGe crystals presenting a CDW transition and those without a CDW. The observed Nernst effect and Seebeck effect under sufficient annealing demonstrate modified electrical transport properties resulting from induced disorder, including a change in carrier sign and an enhancement of the Nernst effect due to the CDW. Our results provide evidence of multiple phase transitions, which confirms the influence of CDW on the thermal properties of FeGe and demonstrates the suppression of CDW with sufficient disordering. △ Less

Submitted 26 August, 2025; originally announced August 2025.

Comments: 4 figures

Journal ref: Physical Review B 113, 165112 (2026)

Predicting open quantum dynamics with data-informed quantum-classical dynamics

Authors: Pinchen Xie, Ke Wang, Anupam Mitra, Yuanran Zhu, Xiantao Li, Wibe Albert de Jong, Chao Yang

Abstract: We introduce a data-informed quantum-classical dynamics (DIQCD) approach for predicting the evolution of an open quantum system. The equation of motion in DIQCD is a Lindblad equation with a flexible, time-dependent Hamiltonian that can be optimized to fit sparse and noisy data from local observations of an extensive open quantum system. We demonstrate the accuracy and efficiency of DIQCD for both… ▽ More We introduce a data-informed quantum-classical dynamics (DIQCD) approach for predicting the evolution of an open quantum system. The equation of motion in DIQCD is a Lindblad equation with a flexible, time-dependent Hamiltonian that can be optimized to fit sparse and noisy data from local observations of an extensive open quantum system. We demonstrate the accuracy and efficiency of DIQCD for both experimental and simulated quantum devices. We show that DIQCD can predict entanglement dynamics of ultracold molecules (Calcium Fluoride) in optical tweezer arrays. DIQCD also successfully predicts carrier mobility in organic semiconductors (Rubrene) with accuracy comparable to nearly exact numerical methods. △ Less

Submitted 20 December, 2025; v1 submitted 23 August, 2025; originally announced August 2025.

Journal ref: Phys. Rev. Lett. 136, 010402 (2026)