Showing 1–50 of 308 results for author: Zhu, S

Predicting interstitial elements in Refractory Complex Concentrated Alloys

Authors: Aomin Huang, Siya Zhu, Calvin Belcher, Ryker Rigsby, Diran Apelian, Raymundo Arróyave, Enrique J. Lavernia

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

Submitted 8 December, 2025; originally announced December 2025.

Rewritable Complementary Nanoelectronics Enabled by Electron-Beam Programmable Ambipolar Doping

Authors: Qing Lan, Wenqing Song, Siyin Zhu, Yi Zhou, Lu Wang, Junjie Wei, Jiaqi Liu, Zejing Guo, Takashi Taniguchi, Kenji Watanabe, Hai Huang, Jingli Wang, Xiaodong Zhou, Alex Zettl, Jian Shen, Wu Shi

Abstract: The ability to reversibly and site-selectively tune ambipolar doping in a single semiconductor is crucial for reconfigurable electronics beyond silicon, but remains highly challenging. Here, we present a rewritable architecture based on electron-beam programmable field-effect transistors (FETs). Using WSe$_2$ as a model system, we demonstrate electron-beam-induced doping that enables reversible, p… ▽ More The ability to reversibly and site-selectively tune ambipolar doping in a single semiconductor is crucial for reconfigurable electronics beyond silicon, but remains highly challenging. Here, we present a rewritable architecture based on electron-beam programmable field-effect transistors (FETs). Using WSe$_2$ as a model system, we demonstrate electron-beam-induced doping that enables reversible, precisely controlled carrier modulation exceeding $10^{13}$ cm$^{-2}$. The in-situ writing, erasing, and rewriting of ambipolar doping of nanoscale patterns was directly visualized by scanning microwave impedance microscopy. This mask-free, lithography-compatible approach can achieve precise band engineering within individual channels, yielding near-ideal subthreshold swings (~ 60 mV/dec) and finely tunable threshold voltages for both carrier types without specialized contact engineering. These capabilities allow on-demand realization of high performance logic, including CMOS inverters with high voltage gains and low power consumption, as well as NAND-to-NOR transitions on the same device via direct polarity rewriting. Our platform offers a scalable and versatile route for rapid prototyping of complementary electronics. △ Less

Submitted 6 December, 2025; originally announced December 2025.

Universal two-stage dynamics and phase control in skyrmion formation

Authors: Shiwei Zhu, Xinyuan Guan, Zhen Sun, Qiuyao Zhang, Changsheng Song

Abstract: We uncover a universal two-stage dynamics during skyrmion formation and establish its connection to equilibrium phases through the introduction of a chiral correlation $χ$. Stage I involves stripe coarsening governed by the exchange-to-DMI ratio $J'$, while stage II entails stripe contraction driven by the synergy between $J'$ and the anisotropy-to-DMI ratio $K'$. The magnetic field-to-DMI ratio… ▽ More We uncover a universal two-stage dynamics during skyrmion formation and establish its connection to equilibrium phases through the introduction of a chiral correlation $χ$. Stage I involves stripe coarsening governed by the exchange-to-DMI ratio $J'$, while stage II entails stripe contraction driven by the synergy between $J'$ and the anisotropy-to-DMI ratio $K'$. The magnetic field-to-DMI ratio $B'$ influences both stages. By combining symbolic regression with neural networks, we model the competition and cooperation among these parameters and derive a skyrmion formation criterion, $0.58 K'J' + μB'J' > 1$. Our model disentangles their distinct roles: $J'$ sets the stripe width, $K'$ primarily controls the skyrmion size, and $B'$ strongly affects the topological charge. This approach provides a general framework for predicting and controlling magnetic phases in chiral magnets. △ Less

Submitted 25 November, 2025; v1 submitted 10 November, 2025; originally announced November 2025.

Low-temperature entropies and possible states in geometrically frustrated magnets

Authors: Siyu Zhu, Arthur P. Ramirez, Sergey Syzranov

Abstract: The entropy that an insulating magnetic material releases upon cooling can reveal important information about the properties of spin states in that material. In many geometrically frustrated (GF) magnetic compounds, the heat capacity exhibits a low-temperature peak that comes from the spin states continuously connected to the ground states of classical models, such as the Ising model, on the same… ▽ More The entropy that an insulating magnetic material releases upon cooling can reveal important information about the properties of spin states in that material. In many geometrically frustrated (GF) magnetic compounds, the heat capacity exhibits a low-temperature peak that comes from the spin states continuously connected to the ground states of classical models, such as the Ising model, on the same GF lattice, which manifests in the amount of entropy associated with this heat-capacity peak. In this work, we simulate numerically the values of entropy released by higher-spin triangular-lattice layered systems and materials on SCGO lattices. We also compare the experimentally measured values of entropy in several strongly GF compounds, $NiGa_2S_4$, $FeAl_2Se_4$ and SCGO/BSZCGO, with possible theoretical values inferred from the classical models to which the quantum states of those materials may be connected. This comparison suggests that the lowest-energy states of higher-spin layered triangular-lattice compounds can be described in terms of doublet states on individual magnetic sites. Our analyses demonstrate how the values of entropy can reveal the structure of low-energy magnetic states in GF compounds and call for more accurate thermodynamic measurement in GF magnetic materials. △ Less

Submitted 4 November, 2025; originally announced November 2025.

Comments: 10 pages, 6 figures

Absence of magnetic order and magnetic fluctuations in RuO$_{2}$

Authors: Jiabin Song, Chao Mu, Shilin Zhu, Xuebo Zhou, Wei Wu, Yun-ze Long, Jianlin Luo, Zheng Li

Abstract: A novel magnetic class blending ferromagnetism and antiferromagnetism, termed altermagnetism, has gained significant attention for its staggered order in coordinate and momentum spaces, time-reversal symmetry-breaking phenomena, and promising applications in spintronics. Ruthenium dioxide (RuO$_{2}$) has been considered a candidate material for altermagnetism, yet the presence of magnetic moments… ▽ More A novel magnetic class blending ferromagnetism and antiferromagnetism, termed altermagnetism, has gained significant attention for its staggered order in coordinate and momentum spaces, time-reversal symmetry-breaking phenomena, and promising applications in spintronics. Ruthenium dioxide (RuO$_{2}$) has been considered a candidate material for altermagnetism, yet the presence of magnetic moments on Ru atoms remains a subject of debate. In this study, we systematically investigated the magnetic properties of RuO$_{2}$ powder using nuclear quadrupole resonance (NQR) measurements. The NQR spectra show that there is no internal magnetic field. Furthermore, the temperature independence of spin-lattice relaxation rate, $1/T_1T$, proves that there are no magnetic fluctuations. Our results unambiguously demonstrate that Ru atoms in RuO$_{2}$ possess neither static magnetic moments nor fluctuating magnetic moments, and thus RuO$_{2}$ does not possess the magnetic characteristics essential for altermagnetism. △ Less

Submitted 1 November, 2025; originally announced November 2025.

Comments: 4 figures

Journal ref: Phys. Rev. B 112, 144444(2025)

Strongly enhanced lifetime of higher-order bimerons and antibimerons

Authors: Shiwei Zhu, Moritz A. Goerzen, Changsheng Song, Stefan Heinze, Dongzhe Li

Abstract: Magnetic bimerons, similar to skyrmions, are topologically nontrivial spin textures characterized by topological charge $Q$. Most studies so far have focused on low-$Q$ solitons ($|Q| \leq 1$), such as skyrmions, bimerons, and vortices. Here, we present the first calculations of the lifetimes of high-$Q$ bimerons and demonstrate that they are fundamentally more stable than high-$Q$ skyrmions over… ▽ More Magnetic bimerons, similar to skyrmions, are topologically nontrivial spin textures characterized by topological charge $Q$. Most studies so far have focused on low-$Q$ solitons ($|Q| \leq 1$), such as skyrmions, bimerons, and vortices. Here, we present the first calculations of the lifetimes of high-$Q$ bimerons and demonstrate that they are fundamentally more stable than high-$Q$ skyrmions over a wide range of temperature. To obtain realistic results, our chosen system is an experimentally feasible van der Waals interface, Fe$_3$GeTe$_2$/Cr$_2$Ge$_2$Te$_6$. We show that the lifetimes of high-$Q$ (anti)bimerons can exceed the lifetime of those with $|Q|=1$ by 3 orders of magnitude. Remarkably, this trend remains valid even when extrapolated to room temperature (RT), as the lifetimes are dominated by entropy rather than energy barriers. This contrasts with high-$Q$ skyrmions, whose lifetimes fall with $|Q|$ near RT. We attribute this fundamental difference between skyrmions and bimerons to their distinct magnetic texture symmetries, which lead to different entropy-dominated lifetimes. △ Less

Submitted 29 October, 2025; originally announced October 2025.

Comments: 7 pages, 4 figures

Unveiling the delicate "hidden" interface conditions in WS2 flakes by advanced atomic force microscopy

Authors: Yanyan Geng, Chang Li, Shuo Mi, Manyu Wang, Xinen Han, Huiji Hu, Yunzhen Wang, Haojie You, Shumin Meng, Hanxiang Wu, Jianfeng Guo, Shiyu Zhu, Yanjun Li, Yasuhiro Sugawara, Sabir Hussain, Fei Pang, Rui Xu, Zhihai Cheng

Abstract: The delicate interfacial conditions and behaviors play critical roles in determining the valuable physical properties of two-dimensional materials and their heterostructures on substrates. However, directly probing these complex interface conditions remains challenging. Here, we reveal the coupled in-plane strain and out-of-plane bonding conditions in strain-engineered WS2 flakes by combining dual… ▽ More The delicate interfacial conditions and behaviors play critical roles in determining the valuable physical properties of two-dimensional materials and their heterostructures on substrates. However, directly probing these complex interface conditions remains challenging. Here, we reveal the coupled in-plane strain and out-of-plane bonding conditions in strain-engineered WS2 flakes by combining dual-harmonic electrostatic force microscopy (DH-EFM) and scanning microwave impedance microscopy (sMIM). A striking contradiction is observed between the compressive-strain-induced larger bandgap (lower electrical conductivity) detected by DH-EFM, and the enhanced conductivity probed by sMIM. Comparative measurements under different sMIM modes demonstrate that this contradiction originates from a tip-loading-force-induced dynamic puckering effect, which is governed by the interfacial bonding strength. Furthermore, the progressive accumulation and subsequent release of conductivity during forward/backward sMIM-contact scans further confirms this dynamic puckering behavior, revealing pronounced differences in interface conditions between the open- and closed-ring regions of WS2. This work resolves the correlation between electrical properties and interface conditions, and provides fundamental insights for interface-engineered devices. △ Less

Submitted 6 November, 2025; v1 submitted 27 October, 2025; originally announced October 2025.

Comments: 21 pages, 5 figures

Gate-tunable chiral spin mode in WSe2/WS2 moiré superlattices

Authors: Zhexu Shan, Wenjian Su, Kenji Watanabe, Takashi Taniguchi, Shiyao Zhu, Yuanfeng Xu, Yanhao Tang

Abstract: The interplay between many-body and spin-orbit effects (SOC) can lead to novel phenomena in solids. Chiral spin modes (CSM) are collective spin excitations that arise from such interplay and connect states with opposite chirality, which, however, have been rarely observed. Here, we report a gate-tunable CSM that occurs between conduction SOC-split minibands in near-0°-twisted WSe2/WS2 bilayers. Th… ▽ More The interplay between many-body and spin-orbit effects (SOC) can lead to novel phenomena in solids. Chiral spin modes (CSM) are collective spin excitations that arise from such interplay and connect states with opposite chirality, which, however, have been rarely observed. Here, we report a gate-tunable CSM that occurs between conduction SOC-split minibands in near-0°-twisted WSe2/WS2 bilayers. This mode manifests as a sharp resonance with giant Raman efficiency in the pseudovector-symmetry channel of the Raman spectra. By varying fillings, the CSM transitions from chiral spin exciton to excitonic polaron. The spin-flip nature is directly confirmed by the Zeeman effect. Moreover, the filling dependence compellingly evidences a charge-transfer insulator at filling of one. Our results demonstrate transition-metal-dichalcogenides moiré superlattices as a fertile platform for exploring exotic low-lying collective excitations. △ Less

Submitted 19 September, 2025; originally announced September 2025.

Cavity-mediated multispin interactions and phase transitions in ultracold Fermi gases

Authors: Zhen Zheng, Shi-Liang Zhu, Z. D. Wang

Abstract: The many-body physics of higher-spin systems is expected to host qualitatively new matter phases, but realizing them requires the controllable multispin interactions that can be tuned independently for each spin component. Here we propose a scheme that meets this demand in ultracold Fermi gases. By engineering the atom-cavity coupling, we generate cavity-mediated effective interactions between arb… ▽ More The many-body physics of higher-spin systems is expected to host qualitatively new matter phases, but realizing them requires the controllable multispin interactions that can be tuned independently for each spin component. Here we propose a scheme that meets this demand in ultracold Fermi gases. By engineering the atom-cavity coupling, we generate cavity-mediated effective interactions between arbitrary pseudo-spin states. Focusing on the simplest three-spin case, we obtain two independent scattering channels whose strengths and signs can be adjusted separately. The resulting Hamiltonian combines the on-site attraction with the off-site repulsion, and drives a continuous transition from the superfluid to the spin-density-wave phase. The coexistence region is reminiscent of a supersolid, yet the self-organized modulation appears in the spin space of a higher-spin representation, rather than in the density profile. The proposal is reliable to be implemented using the existing techniques of ultracold atoms. Therefore it offers a versatile platform for quantum simulation of higher-spin many-body physics. △ Less

Submitted 19 August, 2025; originally announced August 2025.

Comments: 8 pages, 4 figures

Josephson diode effect in nanowire-based Andreev molecules

Authors: Shang Zhu, Yiwen Ma, Jiangbo He, Xiaozhou Yang, Zhongmou Jia, Min Wei, Yiping Jiao, Jiezhong He, Enna Zhuo, Xuewei Cao, Bingbing Tong, Ziwei Dou, Peiling Li, Jie Shen, Xiaohui Song, Zhaozheng Lyu, Guangtong Liu, Dong Pan, Jianhua Zhao, Bo Lu, Li Lu, Fanming Qu

Abstract: Superconducting systems exhibit non-reciprocal current transport under certain conditions of symmetry breaking, a phenomenon known as the superconducting diode effect. This effect allows for perfect rectification of supercurrent, and has received considerable research interest. We report the observation of the Josephson diode effect (JDE) in nanowire-based Andreev molecules, where the time-reversa… ▽ More Superconducting systems exhibit non-reciprocal current transport under certain conditions of symmetry breaking, a phenomenon known as the superconducting diode effect. This effect allows for perfect rectification of supercurrent, and has received considerable research interest. We report the observation of the Josephson diode effect (JDE) in nanowire-based Andreev molecules, where the time-reversal and spatial-inversion symmetries of a Josephson junction (JJ) can be nonlocally broken by coherently coupling to another JJ. The JDE can be controlled using both non-local phase and gate voltages. Notably, the non-local phase can induce a sign reversal of the diode efficiency, a manifestation of regulating the probabilities of double elastic cotunneling and double-crossed Andreev reflection. Additionally, the diode efficiency can be further modulated by local and non-local gate voltages, exhibiting a central-peak feature in the gate-voltage space. Our theoretical calculations of the energy spectrum and the Josephson currents align well with the experimental results. These results demonstrate the non-local regulation of the JDE in Andreev molecules, offering significant implications for the control of multi-JJ devices and the development of advanced superconducting devices. △ Less

Submitted 20 August, 2025; v1 submitted 18 August, 2025; originally announced August 2025.

Comments: 24 pages, 13 figures

Journal ref: Communications Physics 8, 330 (2025)

Construction and Tuning of CALPHAD Models Using Machine-Learned Interatomic Potentials and Experimental Data: A Case Study of the Pt-W System

Authors: Courtney Kunselman, Siya Zhu, Doguhan Sariturk, Raymundo Arroyave

Abstract: This work introduces PhaseForgePlus -- a computationally efficient, fully open-source workflow for physically-informed CALPHAD model generation and parameter fitting. Using the Pt-W system as an example, we show that the integration of Machine Learning Potentials into the Alloy Theoretic Automated Toolkit can produce physically grounded Gibbs energy descriptions requiring only slight adjustments t… ▽ More This work introduces PhaseForgePlus -- a computationally efficient, fully open-source workflow for physically-informed CALPHAD model generation and parameter fitting. Using the Pt-W system as an example, we show that the integration of Machine Learning Potentials into the Alloy Theoretic Automated Toolkit can produce physically grounded Gibbs energy descriptions requiring only slight adjustments to produce accurate phase diagrams. Employing the Jansson derivative method in the context of experimental observations, such adjustments can be efficiently and robustly determined through gradient-informed optimization procedures. △ Less

Submitted 1 August, 2025; originally announced August 2025.

DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation

Authors: Ziqi Wang, Hongshuo Huang, Hancheng Zhao, Changwen Xu, Shang Zhu, Jan Janssen, Venkatasubramanian Viswanathan

Abstract: Materials discovery relies on high-throughput, high-fidelity simulation techniques such as Density Functional Theory (DFT), which require years of training, extensive parameter fine-tuning and systematic error handling. To address these challenges, we introduce the DFT-based Research Engine for Agentic Materials Screening (DREAMS), a hierarchical, multi-agent framework for DFT simulation that comb… ▽ More Materials discovery relies on high-throughput, high-fidelity simulation techniques such as Density Functional Theory (DFT), which require years of training, extensive parameter fine-tuning and systematic error handling. To address these challenges, we introduce the DFT-based Research Engine for Agentic Materials Screening (DREAMS), a hierarchical, multi-agent framework for DFT simulation that combines a central Large Language Model (LLM) planner agent with domain-specific LLM agents for atomistic structure generation, systematic DFT convergence testing, High-Performance Computing (HPC) scheduling, and error handling. In addition, a shared canvas helps the LLM agents to structure their discussions, preserve context and prevent hallucination. We validate DREAMS capabilities on the Sol27LC lattice-constant benchmark, achieving average errors below 1\% compared to the results of human DFT experts. Furthermore, we apply DREAMS to the long-standing CO/Pt(111) adsorption puzzle, demonstrating its long-term and complex problem-solving capabilities. The framework again reproduces expert-level literature adsorption-energy differences. Finally, DREAMS is employed to quantify functional-driven uncertainties with Bayesian ensemble sampling, confirming the Face Centered Cubic (FCC)-site preference at the Generalized Gradient Approximation (GGA) DFT level. In conclusion, DREAMS approaches L3-level automation - autonomous exploration of a defined design space - and significantly reduces the reliance on human expertise and intervention, offering a scalable path toward democratized, high-throughput, high-fidelity computational materials discovery. △ Less

Submitted 18 July, 2025; originally announced July 2025.

Comments: 34 pages, 28 pages of Supporting Information

Anderson-skin dualism: A boundary-dependent effect in non-Hermitian disordered coupled systems

Authors: Shan-Zhong Li, Linhu Li, Shi-Liang Zhu, Zhi Li

Abstract: We report a novel localization phenomenon that emerges in non-Hermitian and quasiperiodic coupled systems, which we dub ``Anderson-Skin (AS) dualism". The emergence of AS dualism is due to the fact that non-Hermitian topological systems provide non-trivial topological transport channels for disordered systems, causing the originally localized Anderson modes to transform into skin modes, i.e., the… ▽ More We report a novel localization phenomenon that emerges in non-Hermitian and quasiperiodic coupled systems, which we dub ``Anderson-Skin (AS) dualism". The emergence of AS dualism is due to the fact that non-Hermitian topological systems provide non-trivial topological transport channels for disordered systems, causing the originally localized Anderson modes to transform into skin modes, i.e., the localized states within the point gap regions have dual characteristics of localization under periodic boundary condition (PBC) and skin effects under open boundary conditions (OBC). As an example, we analytically prove the 1D AS dualism through the transfer matrix method. Moreover, by discussing many-body interacting systems, we confirm that AS dualism is universal. △ Less

Submitted 15 November, 2025; v1 submitted 7 July, 2025; originally announced July 2025.

Comments: 4.5+7 pages,3+6 figures

Journal ref: Phys. Rev. B 112, L201108 (2025)

Strain-Induced Non-alter Compensated Magnet and Its Application to Magnetic Tunnel Junction Device Design

Authors: Fangqi Liu, Yanrong Song, Zhenhua Zhang, Yong Liu, Sicong Zhu, Zhihong Lu, Rui Xiong

Abstract: The recent proposal of altermagnetism has drawn widespread attention to antiferromagnet (AFM) exhibiting spin splitting, extending beyond the realm of sign-alternating spin splitting in momentum space protected solely by rotational symmetry. Herrin, we propose a shear-strain strategy that enables significant modulation of d-wave altermagnets into an non-alter compensated magnets. A comprehensive a… ▽ More The recent proposal of altermagnetism has drawn widespread attention to antiferromagnet (AFM) exhibiting spin splitting, extending beyond the realm of sign-alternating spin splitting in momentum space protected solely by rotational symmetry. Herrin, we propose a shear-strain strategy that enables significant modulation of d-wave altermagnets into an non-alter compensated magnets. A comprehensive analysis combining the magnetic moment compensation characteristics of opposite spin sublattices with the distribution of spin-resolved conduction channels in momentum space under the [001] crystal orientation reveals that shear strain breaks the rotational symmetry of alternatmagnets. To explore the application potential of non-alter compensated magnets, we designe RuO2/TiO2/RuO2 magnetic tunnel junctions (MTJ) with three crystallographic orientations ((001), (110), (100)) and investigated their transport properties under shear strain. This non-alter electronic structure not only enhances the tunneling magnetoresistance (TMR) in spin-split paths of intrinsic RuO2 (226% to 431%) but also enables substantial TMR in spin-degenerate paths (from 0-88%)). Our work provides guidelines for broadening magnetic materials and device platforms. △ Less

Submitted 28 June, 2025; originally announced June 2025.

Specific-heat anomaly in frustrated magnets with vacancy defects

Authors: Muhammad Sedik, Siyu Zhu, Sergey Syzranov

Abstract: Motivated by frustrated magnets and spin-liquid-candidate materials, we study the thermodynamics of a 2D geometrically frustrating magnet with vacancy defects. The presence of vacancies imposes constraints on the bulk spins, which freezes some of the degrees of freedom in the system at low temperatures. With increasing temperature, these constraints get relaxed, resulting in an increase in the sys… ▽ More Motivated by frustrated magnets and spin-liquid-candidate materials, we study the thermodynamics of a 2D geometrically frustrating magnet with vacancy defects. The presence of vacancies imposes constraints on the bulk spins, which freezes some of the degrees of freedom in the system at low temperatures. With increasing temperature, these constraints get relaxed, resulting in an increase in the system's entropy. This leads to the emergence of a peak in the heat capacity $C(T)$ of the magnet at a temperature determined by the concentration of the vacancy defects. To illustrate the emergence of such an anomaly, we compute analytically the heat capacity of the antiferromagnetic (AFM) Ising model on the triangular lattice with vacancy defects. The presence of the vacancy leads to a peak in $C(T)$ at the temperature $T_\text{imp}=-6J/\ln n_\text{imp}$, where $J$ is the AFM coupling between the spins and $n_\text{imp}$ is the fraction of the missing sites. △ Less

Submitted 20 June, 2025; originally announced June 2025.

CLOUD: A Scalable and Physics-Informed Foundation Model for Crystal Representation Learning

Authors: Changwen Xu, Shang Zhu, Venkatasubramanian Viswanathan

Abstract: The prediction of crystal properties is essential for understanding structure-property relationships and accelerating the discovery of functional materials. However, conventional approaches relying on experimental measurements or density functional theory (DFT) calculations are often resource-intensive, limiting their scalability. Machine learning (ML) models offer a promising alternative by learn… ▽ More The prediction of crystal properties is essential for understanding structure-property relationships and accelerating the discovery of functional materials. However, conventional approaches relying on experimental measurements or density functional theory (DFT) calculations are often resource-intensive, limiting their scalability. Machine learning (ML) models offer a promising alternative by learning complex structure-property relationships from data, enabling faster predictions. Yet, existing ML models often rely on labeled data, adopt representations that poorly capture essential structural characteristics, and lack integration with physical principles--factors that limit their generalizability and interpretability. Here, we introduce CLOUD (Crystal Language mOdel for Unified and Differentiable materials modeling), a transformer-based framework trained on a novel Symmetry-Consistent Ordered Parameter Encoding (SCOPE) that encodes crystal symmetry, Wyckoff positions, and composition in a compact, coordinate-free string representation. Pre-trained on over six million crystal structures, CLOUD is fine-tuned on multiple downstream tasks and achieves competitive performance in predicting a wide range of material properties, demonstrating strong scaling performance. Furthermore, as proof of concept of differentiable materials modeling, CLOUD is applied to predict the phonon internal energy and heat capacity, which integrates the Debye model to preserve thermodynamic consistency. The CLOUD-DEBYE framework enforces thermodynamic consistency and enables temperature-dependent property prediction without requiring additional data. These results demonstrate the potential of CLOUD as a scalable and physics-informed foundation model for crystalline materials, unifying symmetry-consistent representations with physically grounded learning for property prediction and materials discovery. △ Less

Submitted 19 June, 2025; originally announced June 2025.

Comments: 36 pages, 11 pages of Supporting Information

Machine Learning Potentials for Alloys: A Detailed Workflow to Predict Phase Diagrams and Benchmark Accuracy

Authors: Siya Zhu, Doguhan Sariturk, Raymundo Arroyave

Abstract: High-entropy alloys (HEAs) have attracted increasing attention due to their unique structural and functional properties. In the study of HEAs, thermodynamic properties and phase stability play a crucial role, making phase diagram calculations significantly important. However, phase diagram calculations with conventional CALPHAD assessments based on experimental or ab-initio data can be expensive.… ▽ More High-entropy alloys (HEAs) have attracted increasing attention due to their unique structural and functional properties. In the study of HEAs, thermodynamic properties and phase stability play a crucial role, making phase diagram calculations significantly important. However, phase diagram calculations with conventional CALPHAD assessments based on experimental or ab-initio data can be expensive. With the emergence of machine-learning interatomic potentials (MLIPs), we have developed a program named PhaseForge, which integrates MLIPs into the Alloy Theoretic Automated Toolkit (ATAT) framework using our MLIP calculation library, MaterialsFramework, to enable efficient exploration of alloy phase diagrams. Moreover, our workflow can also serve as a benchmarking tool for evaluating the quality of different MLIPs. △ Less

Submitted 20 June, 2025; originally announced June 2025.

Journal ref: npj Comput Mater. 11 (2025) 340

Ultrafast dynamics of three-dimensional Kane plasmons in the narrow-bandgap Hg$_{0.8}$Cd$_{0.2}$Te

Authors: Xiaoyue Zhou, Yi Chan, Siyuan Zhu, Fu Deng, Wei Bai, Jingdi Zhang

Abstract: We report on an ultrafast terahertz spectroscopic study on the dynamics of free carriers and the pertinent bulk plasmons in Hg$_{0.8}$Cd$_{0.2}$Te (MCT) film, a narrowband semiconductor accommodating three dimensional massless Kane fermions. The ultrabroadband terahertz source enables the investigation of the lightly doped equilibrium state in the presence of plasmon-phonon hybridization through t… ▽ More We report on an ultrafast terahertz spectroscopic study on the dynamics of free carriers and the pertinent bulk plasmons in Hg$_{0.8}$Cd$_{0.2}$Te (MCT) film, a narrowband semiconductor accommodating three dimensional massless Kane fermions. The ultrabroadband terahertz source enables the investigation of the lightly doped equilibrium state in the presence of plasmon-phonon hybridization through the heavily doped excited state, primarily dominated by plasmons. Without the recourse to the resource consuming cryogenic high magnetic field spectroscopy that hinges on observable related to the interband transition, we show that the massless band dispersion can instead be conveniently perceived by the room temperature study of the intraband transition through the determination of the plasmon carrier density relationship. We found the plasma frequency in MCT scales with the cube root of carrier density, in contrast with the square root scaling in the conventional massive fermion system of parabolic band dispersion. This work also answers the curious question of whether the MCT can maintain its massless Kane fermion character in case the strict gapless condition is deviated from. The method presented herein provides a convenient approach to identifying the landscape of both massless and massive band dispersion. △ Less

Submitted 19 June, 2025; originally announced June 2025.

Correlating Superconducting Qubit Performance Losses to Sidewall Near-Field Scattering via Terahertz Nanophotonics

Authors: Richard H. J. Kim, Samuel J. Haeuser, Joong-Mok Park, Randall K. Chan, Jin-Su Oh, Thomas Koschny, Lin Zhou, Matthew J. Kramer, Akshay A. Murthy, Mustafa Bal, Francesco Crisa, Sabrina Garattoni, Shaojiang Zhu, Andrei Lunin, David Olaya, Peter Hopkins, Alex Romanenko, Anna Grassellino, Jigang Wang

Abstract: Elucidating dielectric losses, structural heterogeneity, and interface imperfections is critical for improving coherence in superconducting qubits. However, most diagnostics rely on destructive electron microscopy or low-throughput millikelvin quantum measurements. Here, we demonstrate noninvasive terahertz (THz) nano-imaging/-spectroscopy of encapsulated niobium transmon qubits, revealing sidewal… ▽ More Elucidating dielectric losses, structural heterogeneity, and interface imperfections is critical for improving coherence in superconducting qubits. However, most diagnostics rely on destructive electron microscopy or low-throughput millikelvin quantum measurements. Here, we demonstrate noninvasive terahertz (THz) nano-imaging/-spectroscopy of encapsulated niobium transmon qubits, revealing sidewall near-field scattering that correlates with qubit coherence. We further employ a THz hyperspectral line scan to probe dielectric responses and field participation at Al junction interfaces. These findings highlight the promise of THz near-field methods as a high-throughput proxy characterization tool for guiding material selection and optimizing processing protocols to improve qubit and quantum circuit performance. △ Less

Submitted 5 June, 2025; originally announced June 2025.

Tailoring composite skyrmionic spin textures in an above-room-temperature ferromagnet Fe3-xGaTe2

Authors: Songyang Li, Jianfeng Guo, Zizhao Gong, Guojing Hu, Shuo Mi, Chang Li, Yanyan Geng, Manyu Wang, Shumin Meng, Shiyu Zhu, Fei Pang, Wei Ji, Rui Xu, Haitao Yang, Zhihai Cheng

Abstract: Realizing room-temperature tunable skyrmionic objects in van der Waals ferromagnet offers unparalleled prospects for future spintronics. Here, we report an experimental investigation on the emergence and evolution of skyrmionic spin textures in the non-stoichiometric Fe3-xGaTe2 using magnetic force microscopy. The iron-deficiency-specific magnetic states of stripe, striped skyrmionium and striped… ▽ More Realizing room-temperature tunable skyrmionic objects in van der Waals ferromagnet offers unparalleled prospects for future spintronics. Here, we report an experimental investigation on the emergence and evolution of skyrmionic spin textures in the non-stoichiometric Fe3-xGaTe2 using magnetic force microscopy. The iron-deficiency-specific magnetic states of stripe, striped skyrmionium and striped skyrmion sack are observed. Through zero-field-cooling and field-cooling measurements, we observed distinct topological transitions and trivial transitions (distinguished by changes in topological charge) emerging during the stepwise evolution of topological spin textures, which enabled us to develop an evolution pathway model. Leveraging this model, the room-temperature stable composite topological spin textures of skyrmionium, skyrmion bag and sack states are further controllably realized via the exclusive topological-transition path (regulated by magnetic field and DMI intensity). Our work provides valuable insights into the room-temperature realization of topological spin textures in Fe3-xGaTe2, and inspires further exploration of their potential applications in heterostructure spintronics. △ Less

Submitted 8 May, 2025; originally announced May 2025.

Comments: 26 pages, 5 figures

34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery

Authors: Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, Mehrad Ansari, Joshua Bocarsly, L. Catherine Brinson, Yuan Chiang, Defne Circi, Min-Hsueh Chiu, Nathan Daelman, Matthew L. Evans, Abhijeet S. Gangan, Janine George, Hassan Harb, Ghazal Khalighinejad, Sartaaj Takrim Khan, Sascha Klawohn, Magdalena Lederbauer, Soroush Mahjoubi, Bernadette Mohr, Seyed Mohamad Moosavi, Aakash Naik, Aleyna Beste Ozhan, Dieter Plessers, Aritra Roy , et al. (10 additional authors not shown)

Abstract: Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline resear… ▽ More Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility. △ Less

Submitted 15 May, 2025; v1 submitted 5 May, 2025; originally announced May 2025.

Comments: arXiv admin note: substantial text overlap with arXiv:2411.15221. This paper is a refinement and analysis of the raw project submissions from arXiv:2411.15221

Gate-tunable hot electron extraction in a two-dimensional semiconductor heterojunction

Authors: Chenran Xu, Chen Xu, Jichen Zhou, Zhexu Shan, Wenjian Su, Wenbing Li, Xingqi Xu, Kenji Watanabe, Takashi Taniguchi, Shiyao Zhu, Da-Wei Wang, Yanhao Tang

Abstract: Hot carrier solar cells (HCSCs), harvesting excess energy of the hot carriers generated by above-band-gap photoexcitation, is crucial for pushing the solar cell efficiency beyond the Shockley Queisser limit, which is challenging to realize mainly due to fast hot-carrier cooling. By performing transient reflectance spectroscopy in a MoSe2/hBN/WS2 junction, we demonstrate the gate-tunable harvest of… ▽ More Hot carrier solar cells (HCSCs), harvesting excess energy of the hot carriers generated by above-band-gap photoexcitation, is crucial for pushing the solar cell efficiency beyond the Shockley Queisser limit, which is challenging to realize mainly due to fast hot-carrier cooling. By performing transient reflectance spectroscopy in a MoSe2/hBN/WS2 junction, we demonstrate the gate-tunable harvest of hot electrons from MoSe2 to WS2. By spectrally distinguishing hot-electron extraction from lattice temperature increase, we find that electrostatically doped electrons in MoSe2 can boost hot-electron extraction density (n_ET) by factor up to several tens. Such enhancement arises from interaction between hot excitons and doped electrons, which converts the excess energy of hot excitons to excitations of the Fermi sea and hence generates hot electrons. Moreover, n_ET can be further enhanced by reducing the conduction band offset with external electric field. Our results provide in-depth insights into design of HCSCs with electrostatic strategies. △ Less

Submitted 8 April, 2025; originally announced April 2025.

Comments: accepted by Nano Letters

Computational Study of Density Fluctuation-Induced Shear Bands Formation in Bulk Metallic Glasses

Authors: Siya Zhu, Hagen Eckert, Stefano Curtarolo, Jan Schroers, Axel van de Walle

Abstract: Seemingly identical Bulk Metallic Glasses (BMG) often exhibit strikingly different mechanical properties despite having the same composition and fictive temperature. A postulated mechanism underlying these differences is the presence of "defects". Here we investigate this hypothesis through the study of the effect of density fluctuations on shear band formation under an applied stress. We find tha… ▽ More Seemingly identical Bulk Metallic Glasses (BMG) often exhibit strikingly different mechanical properties despite having the same composition and fictive temperature. A postulated mechanism underlying these differences is the presence of "defects". Here we investigate this hypothesis through the study of the effect of density fluctuations on shear band formation under an applied stress. We find that the critical shear stress is strongly dependent on the magnitude and size of the fluctuations. This finding also elucidates why, historically, critical shear stresses obtained in simulations have differed so much from those found experimentally, as typical simulations setups might favor unrealistically uniform geometries. △ Less

Submitted 1 April, 2025; originally announced April 2025.

Programming frictionless interfaces for moiré layers

Authors: Zichong Zhang, Shuze Zhu

Abstract: Structural superlubricity in van der Waals layered systems holds immense promise for diverse nanoscale contacts devices and energy-efficient applications. While all-direction structural superlubricity has been widely investigated, the understanding towards the more fundamental directional structural superlubricity requires further attentions. In this study, we reveal the physical origins of direct… ▽ More Structural superlubricity in van der Waals layered systems holds immense promise for diverse nanoscale contacts devices and energy-efficient applications. While all-direction structural superlubricity has been widely investigated, the understanding towards the more fundamental directional structural superlubricity requires further attentions. In this study, we reveal the physical origins of directional structural superlubricity, which reduces to all-direction superlubricity under certain conditions. By investigating the evolution of incomplete moiré tiles at crystalline interfaces, our general scaling approaches establish the mapping from geometry to tunable directional superlubricity, agreeing with large scale molecular dynamics simulations at both homogeneous or heterogeneous interfaces. Furthermore, diverse programmable frictionless motions of nanoflakes traveling inside double-surface nanoconfinement systems can be achieved. Our work delivers new insights into the design of ultra-low frictional interfaces for future nanoscale tribology and nanoconfinement transport. △ Less

Submitted 26 March, 2025; originally announced March 2025.

Identifying Materials-Level Sources of Performance Variation in Superconducting Transmon Qubits

Authors: Akshay A. Murthy, Mustafa Bal, Michael J. Bedzyk, Hilal Cansizoglu, Randall K. Chan, Venkat Chandrasekhar, Francesco Crisa, Amlan Datta, Yanpei Deng, Celeo D. Matute Diaz, Vinayak P. Dravid, David A. Garcia-Wetten, Sabrina Garattoni, Sunil Ghimire, Dominic P. Goronzy, Sebastian de Graaf, Sam Haeuser, Mark C. Hersam, Peter Hopkins, Dieter Isheim, Kamal Joshi, Richard Kim, Saagar Kolachina, Cameron J. Kopas, Matthew J. Kramer , et al. (24 additional authors not shown)

Abstract: The Superconducting Materials and Systems (SQMS) Center, a DOE National Quantum Information Science Research Center, has conducted a comprehensive and coordinated study using superconducting transmon qubit chips with known performance metrics to identify the underlying materials-level sources of device-to-device performance variation. Following qubit coherence measurements, these qubits of varying… ▽ More The Superconducting Materials and Systems (SQMS) Center, a DOE National Quantum Information Science Research Center, has conducted a comprehensive and coordinated study using superconducting transmon qubit chips with known performance metrics to identify the underlying materials-level sources of device-to-device performance variation. Following qubit coherence measurements, these qubits of varying base superconducting metals and substrates have been examined with various nondestructive and invasive material characterization techniques at Northwestern University, Ames National Laboratory, and Fermilab as part of a blind study. We find trends in variations of the depth of the etched substrate trench, the thickness of the surface oxide, and the geometry of the sidewall, which when combined, lead to correlations with the T$_1$ lifetime across different devices. In addition, we provide a list of features that varied from device to device, for which the impact on performance requires further studies. Finally, we identify two low-temperature characterization techniques that may potentially serve as proxy tools for qubit measurements. These insights provide materials-oriented solutions to not only reduce performance variations across neighboring devices, but also to engineer and fabricate devices with optimal geometries to achieve performance metrics beyond the state-of-the-art values. △ Less

Submitted 2 June, 2025; v1 submitted 18 March, 2025; originally announced March 2025.

Topological Degeneracy Induced by Twisting

Authors: Han Peng, Qiang Wang, Meng Xiao, Xiayi Wang, Shining Zhu, Hui Liu

Abstract: In recent years, twisting has emerged as a new degree of freedom that plays an increasingly important role in Bloch bands of various physical systems. However, there is currently a lack of reports on the non-trivial physics of topological degeneracy in twisted systems. In this work, we investigated the intrinsic physical correlation between twisting and topological degeneracy. We found that twisti… ▽ More In recent years, twisting has emerged as a new degree of freedom that plays an increasingly important role in Bloch bands of various physical systems. However, there is currently a lack of reports on the non-trivial physics of topological degeneracy in twisted systems. In this work, we investigated the intrinsic physical correlation between twisting and topological degeneracy. We found that twisting not only breaks the symmetry of the system but also introduces topological degeneracy that does not exist under the original symmetric system without twisting. Furthermore, the topological degeneracy can be easily tuned through twisting. This new twist-induced topological degeneracy gives rise to a unique polarization-degenerate birefringent medium, wherein the twist angle acts as a novel degree of freedom for dispersion and polarization management of interface states. Exhibiting fascinating properties and experimental feasibilities, our work points to new possibilities in the research of various topological physics in twisted photonics. △ Less

Submitted 12 March, 2025; originally announced March 2025.

Comments: 12 pages, 4 figures

Journal ref: Phys. Rev. Lett. 134, 106601 (2025)

A Materials Foundation Model via Hybrid Invariant-Equivariant Architectures

Authors: Keqiang Yan, Montgomery Bohde, Andrii Kryvenko, Ziyu Xiang, Kaiji Zhao, Siya Zhu, Saagar Kolachina, Doğuhan Sarıtürk, Jianwen Xie, Raymundo Arroyave, Xiaoning Qian, Xiaofeng Qian, Shuiwang Ji

Abstract: Machine learning interatomic potentials (MLIPs) can predict energy, force, and stress of materials and enable a wide range of downstream discovery tasks. A key design choice in MLIPs involves the trade-off between invariant and equivariant architectures. Invariant models offer computational efficiency but may not perform as well, especially when predicting high-order outputs. In contrast, equivari… ▽ More Machine learning interatomic potentials (MLIPs) can predict energy, force, and stress of materials and enable a wide range of downstream discovery tasks. A key design choice in MLIPs involves the trade-off between invariant and equivariant architectures. Invariant models offer computational efficiency but may not perform as well, especially when predicting high-order outputs. In contrast, equivariant models can capture high-order symmetries, but are computationally expensive. In this work, we propose HIENet, a hybrid invariant-equivariant materials interatomic potential model that integrates both invariant and equivariant message passing layers, while provably satisfying key physical constraints. HIENet achieves state-of-the-art performance with considerable computational speedups over prior models. Experimental results on both common benchmarks and downstream materials discovery tasks demonstrate the efficiency and effectiveness of HIENet. △ Less

Submitted 29 May, 2025; v1 submitted 25 February, 2025; originally announced March 2025.

Comments: Preprint

Discovery of unconventional charge-spin-intertwined density wave in magnetic kagome metal GdTi3Bi4

Authors: Xianghe Han, Hui Chen, Zhongyi Cao, Jingwen Guo, Fucong Fei, Hengxin Tan, Jianfeng Guo, Yanhao Shi, Runnong Zhou, Ruwen Wang, Zhen Zhao, Haitao Yang, Fengqi Song, Shiyu Zhu, Binghai Yan, Ziqiang Wang, Hong-Jun Gao

Abstract: The symmetry breaking and its interplay among spin, charge, and lattice degrees of freedom is crucial for understanding correlated quantum states such as charge density waves (CDWs) and unconventional superconductivity. Here, we report the discovery by low-temperature scanning tunneling microscopy/spectroscopy of unconventional charge-spin-intertwined density waves in magnetic kagome metal GdTi3Bi… ▽ More The symmetry breaking and its interplay among spin, charge, and lattice degrees of freedom is crucial for understanding correlated quantum states such as charge density waves (CDWs) and unconventional superconductivity. Here, we report the discovery by low-temperature scanning tunneling microscopy/spectroscopy of unconventional charge-spin-intertwined density waves in magnetic kagome metal GdTi3Bi4, which exhibits the one-third magnetization plateau. We reveal the emergence of 3Q CDWs incommensurate with the crystalline lattice in both periodicity and orientation, breaking all mirror and rotation symmetries. The CDW exhibits incommensurate-commensurate transitions in an applied magnetic field and transitions between 3Q and 1Q CDWs as a function of field and temperature, accompanied by changes in the spatial symmetries. Remarkably, the quantum and classic melting of the CDWs exhibits a phase structure which is consistent with the magnetization phase diagram of bulk GdTi3Bi4, providing strong evidence for the intertwined charge-spin density wave order. The origin of the charge-spin intertwinement is further evidenced by the observed hybridization between itinerant electrons and Gd local moments. Our findings uncover an unconventional form of charge-spin orders and offer new insights into a broad class of multi-components density wave formation in kagome and other correlated quantum materials. △ Less

Submitted 7 March, 2025; originally announced March 2025.

Emergent extended states in an unbounded quasiperiodic lattice

Authors: Jia-Ming Zhang, Shan-Zhong Li, Shi-Liang Zhu, Zhi Li

Abstract: Previous studies have established that quasiperiodic lattice models with unbounded potentials can exhibit localized and multifractal states, yet preclude the existence of extended states. In this work, we introduce a quasiperiodic system that incorporates both unbounded potentials and unbounded hopping amplitudes, where extended states emerge as a direct consequence of the unbounded hopping terms… ▽ More Previous studies have established that quasiperiodic lattice models with unbounded potentials can exhibit localized and multifractal states, yet preclude the existence of extended states. In this work, we introduce a quasiperiodic system that incorporates both unbounded potentials and unbounded hopping amplitudes, where extended states emerge as a direct consequence of the unbounded hopping terms overcoming the localization constraints imposed by the unbounded potential, thereby facilitating enhanced particle transport. By using Avila's global theory, we derive analytical expressions for the phase boundaries, with exact results aligning closely with numerical simulations.Intriguingly, we uncover a hidden self-duality in the proposed model by establishing a mapping to the Aubry-André model, revealing a profound structural connection between these systems. △ Less

Submitted 19 February, 2025; originally announced February 2025.

Comments: 7 pages, 3 figures

Electrothermal manipulation of current-induced phase transitions in ferrimagnetic Mn$_3$Si$_2$Te$_6$

Authors: Jiaqi Fang, Jiawei Hu, Xintian Chen, Yaotian Liu, Zheng Yin, Zhe Ying, Yunhao Wang, Ziqiang Wang, Zhilin Li, Shiyu Zhu, Yang Xu, Sokrates T. Pantelides, Hong-Jun Gao

Abstract: Phase transitions driven by external stimuli are central to condensed matter physics, providing critical insights into symmetry breaking and emergent phenomena. Recently, ferrimagnetic (FiM) Mn$_3$Si$_2$Te$_6$ has attracted considerable attention for its magnetic-field-induced insulator-metal transitions (IMTs) and unconventional current-driven phase transitions, yet the role of applied currents i… ▽ More Phase transitions driven by external stimuli are central to condensed matter physics, providing critical insights into symmetry breaking and emergent phenomena. Recently, ferrimagnetic (FiM) Mn$_3$Si$_2$Te$_6$ has attracted considerable attention for its magnetic-field-induced insulator-metal transitions (IMTs) and unconventional current-driven phase transitions, yet the role of applied currents in the magnetic phase remains poorly understood. Here, by combining local magnetization probes and time-resolved transport measurements, we uncover an electrothermal origin for the current-induced first-order-like phase transitions, characterized by abrupt voltage jumps and distinct magnetic domain evolution. Current-voltage (I-V) characteristics measured under triangular waveforms exhibit strong non-reciprocal and hysteretic behaviors, which are significantly suppressed at frequencies ~1000 Hz. Time-resolved studies using rectangular pulsed currents demonstrate that the resistance dynamics closely mirror the equilibrium resistance-temperature profile, directly implicating Joule heating as the driving mechanism. Furthermore, we reveal that the intrinsic I-V response adheres to Ohm's law, displaying linearity across various magnetic fields and temperatures. Our work advocates for a cautious approach in distinguishing between genuine current-induced nonequilibrium quantum states and thermal effects. △ Less

Submitted 16 February, 2025; originally announced February 2025.

Comments: 18 pages, four figures

Soliquidy: a descriptor for atomic geometrical confusion

Authors: Hagen Eckert, Sebastian A. Kube, Simon Divilov, Asa Guest, Adam C. Zettel, David Hicks, Sean D. Griesemer, Nico Hotz, Xiomara Campilongo, Siya Zhu, Axel van de Walle, Jan Schroers, Stefano Curtarolo

Abstract: Tailoring material properties often requires understanding the solidification process. Herein, we introduce the geometric descriptor Soliquidy, which numerically captures the Euclidean transport cost between the translationally disordered versus ordered states of a materials. As a testbed, we apply Soliquidy to the classification of glass-forming metal alloys. By extending and combining an experim… ▽ More Tailoring material properties often requires understanding the solidification process. Herein, we introduce the geometric descriptor Soliquidy, which numerically captures the Euclidean transport cost between the translationally disordered versus ordered states of a materials. As a testbed, we apply Soliquidy to the classification of glass-forming metal alloys. By extending and combining an experimental library of metallic thin-films (glass/no-glass) with the aflow.org computational database (geometrical and energetic information of mixtures) we found that the combination of Soliquity and formation enthalpies generates an effective classifier for glass formation. Such classifier is then used to tackle a public dataset of metallic glasses showing that the glass-agnostic assumptions of Soliquity can be useful for understanding kinetically-controlled phase transitions. △ Less

Submitted 29 January, 2025; originally announced January 2025.

Comments: 9 pages, 7 figures

Journal ref: npj Comput Mater 11, 40 (2025)

Tailoring Synthetic Gauge Fields in Ultracold Atoms via Spatially Engineered Vector Beams

Authors: Huan Wang, Shangguo Zhu, Yun Long, Mingbo Pu, Xiangang Luo

Abstract: Ultracold atoms, typically manipulated by scalar beams with uniform polarization, have propelled advances in quantum simulation, computation, and metrology. Yet, vector beams (VBs) -- structured light with spatially varying polarization -- remain unexplored in this context, despite their enhanced tunability and broad optical applications. Here, we demonstrate a novel scheme to generate synthetic g… ▽ More Ultracold atoms, typically manipulated by scalar beams with uniform polarization, have propelled advances in quantum simulation, computation, and metrology. Yet, vector beams (VBs) -- structured light with spatially varying polarization -- remain unexplored in this context, despite their enhanced tunability and broad optical applications. Here, we demonstrate a novel scheme to generate synthetic gauge fields in ultracold atoms via VB-mediated coupling of internal states. This approach enables angular stripe phases across an expanded parameter range, achieving a three-order-of-magnitude enhancement in the phase diagram and facilitating experimental observation. We further present an all-optical method to create topologically nontrivial giant skyrmions in spin space, with tunable topology governed by VB parameters. Our findings establish VBs as powerful tools for quantum control and the exploration of exotic quantum states and phases. △ Less

Submitted 19 June, 2025; v1 submitted 26 January, 2025; originally announced January 2025.

Comments: 7 pages, 3 figures + Appendices

Journal ref: Ann. Phys. (N. Y.) 482, 170197 (2025)

Unconventional bias-dependent tunneling magnetoresistance in van der Waals ferromagnetic/semiconductor heterojunctions

Authors: Wenkai Zhu, Hui Wen, Shouguo Zhu, Qirui Cui, Shihong Xie, Meng Ye, Gaojie Zhang, Hao Wu, Xiaomin Zhang, Weihao Li, Yuqing Huang, Jing Zhang, Lixia Zhao, Amalia Patanè, Haixin Chang, Lin-Wang Wang, Kaiyou Wang

Abstract: Two-dimensional van der Waals (vdW) ferromagnetic/semiconductor heterojunctions represent an ideal platform for studying and exploiting tunneling magnetoresistance (TMR) effects due to the versatile band structure of semiconductors and their high-quality interfaces. In the all-vdW magnetic tunnel junction (MTJ) devices, both the magnitude and sign of the TMR can be tuned by an applied voltage. Typ… ▽ More Two-dimensional van der Waals (vdW) ferromagnetic/semiconductor heterojunctions represent an ideal platform for studying and exploiting tunneling magnetoresistance (TMR) effects due to the versatile band structure of semiconductors and their high-quality interfaces. In the all-vdW magnetic tunnel junction (MTJ) devices, both the magnitude and sign of the TMR can be tuned by an applied voltage. Typically, as the bias voltage increases, first the amplitude of the TMR decreases, then the sign of the TMR reverses and/or oscillates. Here, we report on an unconventional bias-dependent TMR in the all-vdW Fe3GaTe2/GaSe/Fe3GaTe2 MTJs, where the TMR first increases, then decreases, and finally undergoes a sign reversal as the bias voltage increases. This dependence cannot be explained by traditional models of MTJs. We propose an in-plane electron momentum (k//) resolved tunneling model that considers both the coherent degree of k// and the decay of the electron wave function through the semiconductor spacer layer. This can explain well the conventional and unconventional bias-dependent TMR. Our results thus provide a deeper understanding of the bias-dependent spin-transport in semiconductor-based MTJs and offer new insights into semiconductor spintronics. △ Less

Submitted 15 January, 2025; originally announced January 2025.

Journal ref: Nat Commun 16, 9509 (2025)

Multifractal-enriched mobility edges and emergent quantum phases in Rydberg atomic arrays

Authors: Shan-Zhong Li, Yi-Cai Zhang, Yucheng Wang, Shanchao Zhang, Shi-Liang Zhu, Zhi Li

Abstract: Anderson localization describes disorder-induced phase transitions, distinguishing between localized and extended states. In quasiperiodic systems, a third multifractal state emerges, characterized by unique energy and wave functions. However, the corresponding multifractal-enriched mobility edges and three-state-coexisting quantum phases have yet to be experimentally detected. In this work, we pr… ▽ More Anderson localization describes disorder-induced phase transitions, distinguishing between localized and extended states. In quasiperiodic systems, a third multifractal state emerges, characterized by unique energy and wave functions. However, the corresponding multifractal-enriched mobility edges and three-state-coexisting quantum phases have yet to be experimentally detected. In this work, we propose exactly-solvable one-dimensional quasiperiodic lattice models that simultaneously host three-state-coexisting quantum phases, with their phase boundaries analytically derived via Avila's global theorem. Furthermore, we propose experimental protocols via Rydberg atom arrays to realize these states. Notably, we demonstrate a spectroscopic technique capable of measuring inverse participation ratios across real-space and dual-space domains, enabling simultaneous characterization of localized, extended, and multifractal quantum phases in systems with up to tens of qubits. Our work opens new avenues for the experimental exploration of Anderson localization and multifractal states in artificial quantum systems. △ Less

Submitted 14 October, 2025; v1 submitted 14 January, 2025; originally announced January 2025.

Comments: 5+22 pages, 3+16 figures

Journal ref: Sci. China-Phys. Mech. Astron. 69, 217212 (2026)

Accelerating CALPHAD-based Phase Diagram Predictions in Complex Alloys Using Universal Machine Learning Potentials: Opportunities and Challenges

Authors: Siya Zhu, Raymundo Arróyave, Doğuhan Sarıtürk

Abstract: Accurate phase diagram prediction is crucial for understanding alloy thermodynamics and advancing materials design. While traditional CALPHAD methods are robust, they are resource-intensive and limited by experimentally assessed data. This work explores the use of machine learning interatomic potentials (MLIPs) such as M3GNet, CHGNet, MACE, SevenNet, and ORB to significantly accelerate phase diagr… ▽ More Accurate phase diagram prediction is crucial for understanding alloy thermodynamics and advancing materials design. While traditional CALPHAD methods are robust, they are resource-intensive and limited by experimentally assessed data. This work explores the use of machine learning interatomic potentials (MLIPs) such as M3GNet, CHGNet, MACE, SevenNet, and ORB to significantly accelerate phase diagram calculations by using the Alloy Theoretic Automated Toolkit (ATAT) to map calculations of the energies and free energies of atomistic systems to CALPHAD-compatible thermodynamic descriptions. Using case studies including Cr-Mo, Cu-Au, and Pt-W, we demonstrate that MLIPs, particularly ORB, achieve computational speedups exceeding three orders of magnitude compared to DFT while maintaining phase stability predictions within acceptable accuracy. Extending this approach to liquid phases and ternary systems like Cr-Mo-V highlights its versatility for high-entropy alloys and complex chemical spaces. This work demonstrates that MLIPs, integrated with tools like ATAT within a CALPHAD framework, provide an efficient and accurate framework for high-throughput thermodynamic modeling, enabling rapid exploration of novel alloy systems. While many challenges remain to be addressed, the accuracy of some of these MLIPs (ORB in particular) are on the verge of paving the way toward high-throughput generation of CALPHAD thermodynamic descriptions of multi-component, multi-phase alloy systems. △ Less

Submitted 22 November, 2024; originally announced November 2024.

Comments: 11 pages, 8 figures

Journal ref: Acta Mater. 286 (2025) 120747

Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Authors: Yoel Zimmermann, Adib Bazgir, Zartashia Afzal, Fariha Agbere, Qianxiang Ai, Nawaf Alampara, Alexander Al-Feghali, Mehrad Ansari, Dmytro Antypov, Amro Aswad, Jiaru Bai, Viktoriia Baibakova, Devi Dutta Biswajeet, Erik Bitzek, Joshua D. Bocarsly, Anna Borisova, Andres M Bran, L. Catherine Brinson, Marcel Moran Calderon, Alessandro Canalicchio, Victor Chen, Yuan Chiang, Defne Circi, Benjamin Charmes, Vikrant Chaudhary , et al. (119 additional authors not shown)

Abstract: Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) mo… ▽ More Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research. △ Less

Submitted 2 January, 2025; v1 submitted 20 November, 2024; originally announced November 2024.

Comments: Updating author information, the submission remains largely unchanged. 98 pages total

Pressure-Induced Superconductivity in Pr4Ni3O10 Single Crystals

Authors: Cuiying Pei, Mingxin Zhang, Di Peng, Shangxiong Huangfu, Shihao Zhu, Qi Wang, Juefei Wu, Zhenfang Xing, Lili Zhang, Yulin Chen, Jinkui Zhao, Wenge Yang, Hongli Suo, Hanjie Guo, Qiaoshi Zeng, Yanpeng Qi

Abstract: The recent discovery of superconductivity in pressurized Ruddlesden-Popper (RP) of nickelates has potential similarities with cuprate superconductors, which may provide unique perspectives on the mechanisms of high-temperature superconductivity. Up to now, most of high-pressure experiments concentrated on the lanthanum-related RP phase. Therefore, the discovery of new superconducting nickelate com… ▽ More The recent discovery of superconductivity in pressurized Ruddlesden-Popper (RP) of nickelates has potential similarities with cuprate superconductors, which may provide unique perspectives on the mechanisms of high-temperature superconductivity. Up to now, most of high-pressure experiments concentrated on the lanthanum-related RP phase. Therefore, the discovery of new superconducting nickelate compounds is highly desired to explore the generality of pressure-induced superconductivity in RP nickelates. Here, we grow high-quality Pr4Ni3O10 single crystal with an optical floating zone furnace under high oxygen pressure and conduct high-pressure transport measurements with various pressure transmitting mediums. The density wave in Pr4Ni3O10 single crystal was suppressed by pressure, accompanying the arising of superconducting state beyond 10 GPa. The maximum and unsaturated Tc of 39 K is obtained within our research pressure. Although zero resistivity was not achieved in our experiments, the pressure and temperature-dependent diamagnetism along with the systematic evolution of resistivity with applied magnetic field, corroborate the superconductivity in Pr4Ni3O10 single crystals. Our findings provide a new platform for the investigation of the relationship among structural evolution, magnetism, correlation, and superconductivity in Ruddlesden-Popper nickelates. △ Less

Submitted 13 November, 2024; originally announced November 2024.

Comments: 15 pages,5 figures

Classifying extended, localized and critical states in quasiperiodic lattices via unsupervised learning

Authors: Bohan Zheng, Siyu Zhu, Xingping Zhou, Tong Liu

Abstract: Classification of quantum phases is one of the most important areas of research in condensed matter physics. In this work, we obtain the phase diagram of one-dimensional quasiperiodic models via unsupervised learning. Firstly, we choose two advanced unsupervised learning algorithms, Density-Based Spatial Clustering of Applications with Noise (DBSCAN) and Ordering Points To Identify the Clustering… ▽ More Classification of quantum phases is one of the most important areas of research in condensed matter physics. In this work, we obtain the phase diagram of one-dimensional quasiperiodic models via unsupervised learning. Firstly, we choose two advanced unsupervised learning algorithms, Density-Based Spatial Clustering of Applications with Noise (DBSCAN) and Ordering Points To Identify the Clustering Structure (OPTICS), to explore the distinct phases of Aubry-André-Harper model and quasiperiodic p-wave model. The unsupervised learning results match well with traditional numerical diagonalization. Finally, we compare the similarity of different algorithms and find that the highest similarity between the results of unsupervised learning algorithms and those of traditional algorithms has exceeded 98\%. Our work sheds light on applications of unsupervised learning for phase classification. △ Less

Submitted 19 October, 2024; originally announced October 2024.

Shortcuts to adiabatic non-Abelian braiding on silicon photonic chips

Authors: Wange Song, Xuanyu Liu, Jiacheng Sun, Oubo You, Shengjie Wu, Chen Chen, Shining Zhu, Tao Li, Shuang Zhang

Abstract: The non-Abelian braiding describes the exchange behavior of anyons, which can be leveraged to encode qubits for quantum computing. Recently, this concept has been realized in classical photonic and acoustic systems. However, these implementations are constrained by adiabatic conditions, necessitating long operation distances and impeding practical applications. Here, we conceive and demonstrate a… ▽ More The non-Abelian braiding describes the exchange behavior of anyons, which can be leveraged to encode qubits for quantum computing. Recently, this concept has been realized in classical photonic and acoustic systems. However, these implementations are constrained by adiabatic conditions, necessitating long operation distances and impeding practical applications. Here, we conceive and demonstrate a shortcut to adiabatic (STA) braiding of telecommunication light in three-dimensional silicon photonic chips. Our device comprises tri-layer silicon waveguides stacked and embedded in the SU-8 polymer, employing an STA strategy to expedite the braiding operations and give rise to compact devices that function as photonic quantum X, Y, and Z gates. We further experimentally observed non-Abelian braiding behaviors based on this STA-braiding scheme. Remarkably, this achievement represents the most compact braiding apparatus ever reported, with a size reduction of nearly three orders of magnitude compared to previous works. This work presents a feasible approach to accelerating adiabatic braiding evolutions, paving the way for compact, CMOS-compatible non-Abelian photonic devices. △ Less

Submitted 8 October, 2024; originally announced October 2024.

A Generic and Automated Methodology to Simulate Melting Point

Authors: Fu-Zhi Dai, Si-Hao Yuan, Yan-Bo Hao, Xin-Fu Gu, Shipeng Zhu, Jidong Hu, Yifen Xu

Abstract: The melting point of a material constitutes a pivotal property with profound implications across various disciplines of science, engineering, and technology. Recent advancements in machine learning potentials have revolutionized the field, enabling ab initio predictions of materials' melting points through atomic-scale simulations. However, a universal simulation methodology that can be universall… ▽ More The melting point of a material constitutes a pivotal property with profound implications across various disciplines of science, engineering, and technology. Recent advancements in machine learning potentials have revolutionized the field, enabling ab initio predictions of materials' melting points through atomic-scale simulations. However, a universal simulation methodology that can be universally applied to any material remains elusive. In this paper, we present a generic, fully automated workflow designed to predict the melting points of materials utilizing molecular dynamics simulations. This workflow incorporates two tailored simulation modalities, each addressing scenarios with and without elemental partitioning between solid and liquid phases. When the compositions of both phases remain unchanged upon melting or solidification, signifying the absence of partitioning, the melting point is identified as the temperature at which these phases coexist in equilibrium. Conversely, in cases where elemental partitioning occurs, our workflow estimates both the nominal melting point, marking the initial transition from solid to liquid, and the nominal solidification point, indicating the reverse process. To ensure precision in determining these critical temperatures, we employ an innovative temperature-volume data fitting technique, suitable for a diverse range of materials exhibiting notable volume disparities between their solid and liquid states. This comprehensive approach offers a robust and versatile solution for predicting melting points, fostering advancements in materials science and technology. △ Less

Submitted 30 August, 2024; originally announced August 2024.

Thorium doped strontium fluoride crystal: a unique candidate for solid nuclear optical clock material

Authors: Qiaorui Gong, Shanming Li, Shulong Zhang, Siliang Tao, Guoliang Deng, Peixiong Zhang, Chengchun Zhao, Yin Hang, Shining Zhu, Longsheng Ma

Abstract: We report a candidate with unique advantages in the cultivation of solid-state nuclear clock material, Th:SrF2 crystal. It not only has a segregation coefficient close to 1, which can achieve highly efficient and uniform doping of Th, but also ensures a high transmittance (~69% at 150 nm) while achieving extremely high doping concentration (232Th>6*10^20 cm^(-3). In addition, SrF2 crystal will not… ▽ More We report a candidate with unique advantages in the cultivation of solid-state nuclear clock material, Th:SrF2 crystal. It not only has a segregation coefficient close to 1, which can achieve highly efficient and uniform doping of Th, but also ensures a high transmittance (~69% at 150 nm) while achieving extremely high doping concentration (232Th>6*10^20 cm^(-3). In addition, SrF2 crystal will not be irradiated-colored under strong α radiation like CaF2 crystal, Th:SrF2 crystal is expected to fully unleash its high concentration doping characteristics while ensuring its transmission performance in nuclear transition band not be severely affected by 229Th radiation damage. △ Less

Submitted 3 July, 2024; originally announced July 2024.

Asymmetric transfer matrix analysis of Lyapunov exponents in one-dimensional non-reciprocal quasicrystals

Authors: Shan-Zhong Li, Enhong Cheng, Shi-Liang Zhu, Zhi Li

Abstract: The Lyapunov exponent, serving as an indicator of the localized state, is commonly utilized to identify localization transitions in disordered systems. In non-Hermitian quasicrystals, the non-Hermitian effect induced by non-reciprocal hopping can lead to the manifestation of two distinct Lyapunov exponents on opposite sides of the localization center. Building on this observation, we here introduc… ▽ More The Lyapunov exponent, serving as an indicator of the localized state, is commonly utilized to identify localization transitions in disordered systems. In non-Hermitian quasicrystals, the non-Hermitian effect induced by non-reciprocal hopping can lead to the manifestation of two distinct Lyapunov exponents on opposite sides of the localization center. Building on this observation, we here introduce a comprehensive approach for examining the localization characteristics and mobility edges of non-reciprocal quasicrystals, referred to as asymmetric transfer matrix analysis. We demonstrate the application of this method to three specific scenarios: the non-reciprocal Aubry-André model, the non-reciprocal off-diagonal Aubry-André model, and the non-reciprocal mosaic quasicrystals. This work may contribute valuable insights to the investigation of non-Hermitian quasicrystal and disordered systems. △ Less

Submitted 20 October, 2024; v1 submitted 1 July, 2024; originally announced July 2024.

Comments: 12 pages, 4 figures

Journal ref: Phys. Rev. B 110, 134203 (2024)

Synthetic spin-orbit coupling for the multispin models in optical lattices

Authors: Zhen Zheng, Yan-Qing Zhu, Shanchao Zhang, Shi-Liang Zhu, Z. D. Wang

Abstract: The essential role of synthetic spin-orbit coupling in discovering new topological matter phases with cold atoms is widely acknowledged. However, the engineering of spin-orbit coupling remains unclear for arbitrary-spin models due to the complexity of spin matrices. In this paper, we develop a more general but relatively straightforward method to achieve spin-orbit coupling for multispin models. O… ▽ More The essential role of synthetic spin-orbit coupling in discovering new topological matter phases with cold atoms is widely acknowledged. However, the engineering of spin-orbit coupling remains unclear for arbitrary-spin models due to the complexity of spin matrices. In this paper, we develop a more general but relatively straightforward method to achieve spin-orbit coupling for multispin models. Our approach hinges on controlling the coupling between distinct pseudo-spins through two intermediary states, resulting in tunneling with spin flips that have direction-dependent strength. The engineered spin-orbit coupling can facilitate topological phase transitions with Chern numbers over 1, a unique characteristic of multispin models compared to spin-1/2 models. By utilizing existing cold atom techniques, our proposed method provides an ideal platform for investigating topological properties related to large Chern numbers. △ Less

Submitted 23 September, 2024; v1 submitted 20 June, 2024; originally announced June 2024.

Comments: 10 pages, 6 figures

Journal ref: Phys. Rev. A 110, 033327 (2024)

Proposal for realizing and probing topological crystalline insulators in optical lattices

Authors: Jing-Xin Liu, Jian-Te Wang, Shi-Liang Zhu

Abstract: We develop a lattice model which exhibits topological transitions from $Z_2$ topological insulators to mirror symmetry-protected topological crystalline insulators by introducing additional spin-orbit coupling terms. The topological phase is characterized by the mirror winding number, defined within the mirror symmetry invariant subspace, which ensures the protection of gapless edge states and zer… ▽ More We develop a lattice model which exhibits topological transitions from $Z_2$ topological insulators to mirror symmetry-protected topological crystalline insulators by introducing additional spin-orbit coupling terms. The topological phase is characterized by the mirror winding number, defined within the mirror symmetry invariant subspace, which ensures the protection of gapless edge states and zero-energy corner states under specific boundary conditions. Additionally, we propose a feasible scheme using ultracold atoms confined in a stacked hexagonal optical lattice with Raman fields to realize the two-dimensional topological crystalline insulators. Detection of the mirror winding number in these systems can be achieved by implementing a simple quench sequence and observing the evolution of the time-of-flight patterns. △ Less

Submitted 12 June, 2024; originally announced June 2024.

Comments: 11 pages, 5 figures

Velocity Scanning Tomography for Room-Temperature Quantum Simulation

Authors: Jiefei Wang, Ruosong Mao, Xingqi Xu, Yunzhou Lu, Jianhao Dai, Xiao Liu, Gang-Qin Liu, Dawei Lu, Huizhu Hu, Shi-Yao Zhu, Han Cai, Da-Wei Wang

Abstract: Quantum simulation offers an analog approach for exploring exotic quantum phenomena using controllable platforms, typically necessitating ultracold temperatures to maintain the quantum coherence. Superradiance lattices (SLs) have been harnessed to simulate coherent topological physics at room temperature, but the thermal motion of atoms remains a notable challenge in accurately measuring the physi… ▽ More Quantum simulation offers an analog approach for exploring exotic quantum phenomena using controllable platforms, typically necessitating ultracold temperatures to maintain the quantum coherence. Superradiance lattices (SLs) have been harnessed to simulate coherent topological physics at room temperature, but the thermal motion of atoms remains a notable challenge in accurately measuring the physical quantities. To overcome this obstacle, we invent and validate a velocity scanning tomography technique to discern the responses of atoms with different velocities, allowing cold-atom spectroscopic resolution within room-temperature SLs. By comparing absorption spectra with and without atoms moving at specific velocities, we can derive the Wannier-Stark ladders of the SL across various effective static electric fields, their strengths being proportional to the atomic velocities. We extract the Zak phase of the SL by monitoring the ladder frequency shift as a function of the atomic velocity, effectively demonstrating the topological winding of the energy bands. Our research signifies the feasibility of room-temperature quantum simulation and facilitates their applications in quantum information processing. △ Less

Submitted 4 June, 2024; originally announced June 2024.

Comments: 6 pages, 4 figures

Synthetic non-Abelian topological charges in ultracold atomic gases

Authors: Qi-Dong Wang, Yan-Qing Zhu, Shi-Liang Zhu, Zhen Zheng

Abstract: Topological phases associated with non-Abelian charges can exhibit a distinguished bulk-edge correspondence compared with Abelian phases, although elucidating this relationship remains challenging in traditional solid-state systems. In this paper, we propose a theoretical framework for synthesizing non-Abelian quaternion charges in ultracold atomic gases. By designing artificial spin-orbit couplin… ▽ More Topological phases associated with non-Abelian charges can exhibit a distinguished bulk-edge correspondence compared with Abelian phases, although elucidating this relationship remains challenging in traditional solid-state systems. In this paper, we propose a theoretical framework for synthesizing non-Abelian quaternion charges in ultracold atomic gases. By designing artificial spin-orbit coupling patterns, the topological edge modes demonstrate a clear correspondence with the band topology determined by various quaternion charges. This paves the way for observing the interface modes whose existence is attributed to the nonconservation multiplication relation, which is fundamental to non-Abelian charges. This scheme can be readily implemented using current ultracold atom techniques, offering a promising approach to explore the intriguing non-Abelian characteristics of the system. △ Less

Submitted 29 August, 2024; v1 submitted 27 May, 2024; originally announced May 2024.

Comments: 10 pages, 8 figures

Journal ref: Phys. Rev. A 110, 023321 (2024)

Disorder-broadened phase boundary with enhanced amorphous superconductivity in pressurized In2Te5

Authors: Yi Zhao, Tianping Ying, Lingxiao Zhao, Juefei Wu, Cuiying Pei, Jing Chen, Jun Deng, Qinghua Zhang, Lin Gu, Qi Wang, Weizheng Cao, Changhua Li, Shihao Zhu, Mingxin Zhang, Na Yu, Lili Zhang, Yulin Chen, Chui-Zhen Chen, Tongxu Yu, Yanpeng Qi

Abstract: As an empirical tool in materials science and engineering, the iconic phase diagram owes its robustness and practicality to the topological characteristics rooted in the celebrated Gibbs phase law (F = C - P + 2). When crossing the phase diagram boundary, the structure transition occurs abruptly, bringing about an instantaneous change in physical properties and limited controllability on the bound… ▽ More As an empirical tool in materials science and engineering, the iconic phase diagram owes its robustness and practicality to the topological characteristics rooted in the celebrated Gibbs phase law (F = C - P + 2). When crossing the phase diagram boundary, the structure transition occurs abruptly, bringing about an instantaneous change in physical properties and limited controllability on the boundaries (F = 1). Here, we expand the sharp phase boundary to an amorphous transition region (F = 2) by partially disrupting the long-range translational symmetry, leading to a sequential crystalline-amorphous-crystalline (CAC) transition in a pressurized In2Te5 single crystal. Through detailed in-situ synchrotron diffraction, we elucidate that the phase transition stems from the rotation of immobile blocks [In2Te2]2+, linked by hinge-like [Te3]2- trimers. Remarkably, within the amorphous region, the amorphous phase demonstrates a notable 25 % increase of the superconducting transition temperature (Tc), while the carrier concentration remains relatively constant. Furthermore, we propose a theoretical framework revealing that the unconventional boost in amorphous superconductivity might be attributed to an intensified electron correlation, triggered by a disorder-augmented multifractal behavior. These findings underscore the potential of disorder and prompt further exploration of unforeseen phenomena on the phase boundaries. △ Less

Submitted 10 May, 2024; originally announced May 2024.

Comments: 14 pages, 4 figures, Accepted for publication in Advanced Materials

Two Toy Spin Chain Models of Decoherence

Authors: P. C. E. Stamp Zhen Zhu

Abstract: We solve for the decoherence dynamics of two models in which a simple qubit or Central Spin couples to a bath of spins; the bath is made from a chain of spins. In model 1, the bath spins are Ising spins; in Model 2, they are coupled by transverse spin-spin interactions, and the chain supports spin waves. We look at (i) the case where the Hamiltonian is static, with a constant system/bath coupling,… ▽ More We solve for the decoherence dynamics of two models in which a simple qubit or Central Spin couples to a bath of spins; the bath is made from a chain of spins. In model 1, the bath spins are Ising spins; in Model 2, they are coupled by transverse spin-spin interactions, and the chain supports spin waves. We look at (i) the case where the Hamiltonian is static, with a constant system/bath coupling, and (ii) where this coupling varies in time. △ Less

Submitted 6 May, 2024; originally announced May 2024.

Comments: 9 page, 4 figures

A diverse set of two-qubit gates for spin qubits in semiconductor quantum dots

Authors: Ming Ni, Rong-Long Ma, Zhen-Zhen Kong, Ning Chu, Sheng-Kai Zhu, Chu Wang, Ao-Ran Li, Wei-Zhu Liao, Gang Cao, Gui-Lei Wang, Guang-Can Guo, Xuedong Hu, Hai-Ou Li, Guo-Ping Guo

Abstract: To realize large-scale quantum information processes, an ideal scheme for two-qubit operations should enable diverse operations with given hardware and physical interaction. However, for spin qubits in semiconductor quantum dots, the common two-qubit operations, including CPhase gates, SWAP gates, and CROT gates, are realized with distinct parameter regions and control waveforms, posing challenges… ▽ More To realize large-scale quantum information processes, an ideal scheme for two-qubit operations should enable diverse operations with given hardware and physical interaction. However, for spin qubits in semiconductor quantum dots, the common two-qubit operations, including CPhase gates, SWAP gates, and CROT gates, are realized with distinct parameter regions and control waveforms, posing challenges for their simultaneous implementation. Here, taking advantage of the inherent Heisenberg interaction between spin qubits, we propose and verify a fast composite two-qubit gate scheme to extend the available two-qubit gate types as well as reduce the requirements for device properties. Apart from the formerly proposed CPhase (controlled-phase) gates and SWAP gates, theoretical results indicate that the iSWAP-family gate and Fermionic simulation (fSim) gate set are additionally available for spin qubits. Meanwhile, our gate scheme limits the parameter requirements of all essential two-qubit gates to a common J~ΔE_Z region, facilitate the simultaneous realization of them. Furthermore, we present the preliminary experimental demonstration of the composite gate scheme, observing excellent match between the measured and simulated results. With this versatile composite gate scheme, broad-spectrum two-qubit operations allow us to efficiently utilize the hardware and the underlying physics resources, helping accelerate and broaden the scope of the upcoming noise intermediate-scale quantum (NISQ) computing. △ Less

Submitted 29 April, 2024; originally announced April 2024.

Comments: 23 pages, 6 figures,

Journal ref: Physical Review APPLIED 23, 024065 (2025)

Site-ordering/disordering-induced magnetic textures in a vdW ferromagnet by competing global and broken inversion-symmetry

Authors: Haoyan Zhang, Jianfeng Guo, Cong Wang, Le Lei, Shuo Mi, Songyang Li, Congkuan Tian, Shaohua Yan, Hanxiang Wu, Shiyu Zhu, Rui Xu, Xueyun Wang, Hechang Lei, Peng Cheng, Fei Pang, Wei Ji, Zhihai Cheng

Abstract: Fe5GeTe2 single crystals can be divided into nonquenched (NQ) and quench-cooled (QC) phases with different magnetic properties. A comprehensive understanding of the magnetic property variations in the NQ and QC phases is imperative for guiding Fe5GeTe2 towards spintronics applications; however, it remains elusive. Here, we report a real-space study on the structural and magnetic properties of thes… ▽ More Fe5GeTe2 single crystals can be divided into nonquenched (NQ) and quench-cooled (QC) phases with different magnetic properties. A comprehensive understanding of the magnetic property variations in the NQ and QC phases is imperative for guiding Fe5GeTe2 towards spintronics applications; however, it remains elusive. Here, we report a real-space study on the structural and magnetic properties of these two magnetic phases using cryogenic magnetic force microscopy and scanning tunneling microscopy. The thermal history introduces disorder and order to the Fe(1) sites, resulting in the NQ and QC phases exhibiting global and broken inversion symmetry, respectively. The observed magnetic domain transitions (branching to labyrinthine) in the spin reorientation process and the distinct 3D spin textures stabilized by magnetic dipolar interaction observed in field-dependent studies allow the NQ phase to exhibit a more resilient global magnetic state. In contrast, the QC phase exhibits enhanced magnetic anisotropy, resulting in a higher TC. Meanwhile, the Dzyaloshinskii-Moriya interaction (DMI) introduced by the broken inversion symmetry causes the QC phase to exhibit a localized magnetic state: no domain transformation occurs during spin reorientation, and irregular domain states are observed in field-related studies. Our work provides an important reference for understanding the complex magnetic properties in Fe5GeTe2. △ Less

Submitted 7 April, 2024; originally announced April 2024.

Comments: 18 pages,4 figures