Showing 1–50 of 107 results for author: Ji, Y

Expert-Grounded Automatic Prompt Engineering for Extracting Lattice Constants of High-Entropy Alloys from Scientific Publications using Large Language Models

Authors: Shunshun Liu, Talon R. Booth, Yangfeng Ji, Wesley Reinhart, Prasanna V. Balachandran

Abstract: Large language models (LLMs) have shown promise for scientific data extraction from publications, but rely on manual prompt refinement. We present an expert-grounded automatic prompt optimization framework that enhances LLM entity extraction reliability. Using high-entropy alloy lattice constant extraction as a testbed, we optimized prompts for Claude 3.5 Sonnet through feedback cycles on seven ex… ▽ More Large language models (LLMs) have shown promise for scientific data extraction from publications, but rely on manual prompt refinement. We present an expert-grounded automatic prompt optimization framework that enhances LLM entity extraction reliability. Using high-entropy alloy lattice constant extraction as a testbed, we optimized prompts for Claude 3.5 Sonnet through feedback cycles on seven expert-annotated publications. Despite a modest optimization budget, recall improved from 0.27 to > 0.9, demonstrating that a small, expert-curated dataset can yield significant improvements. The approach was applied to extract lattice constants from 2,267 publications, yielding data for 1,861 compositions. The optimized prompt transferred effectively to newer models: Claude 4.5 Sonnet, GPT-5, and Gemini 2.5 Flash. Analysis revealed three categories of LLM mistakes: contextual hallucination, semantic misinterpretation, and unit conversion errors, emphasizing the need for validation protocols. These results establish feedback-guided prompt optimization as a low-cost, transferable methodology for reliable scientific data extraction, providing a scalable pathway for complex LLM-assisted research tasks. △ Less

Submitted 5 December, 2025; originally announced December 2025.

Comments: 26 pages, 4 figures, Supplementary Information in the Ancillary files

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

Authors: Yuyang Ji, Haotian Zhao, Peize Lin, Xinguo Ren, Lixin He

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

Submitted 21 December, 2025; originally announced December 2025.

Magnetically Responsive Microprintable Soft Nanocomposites with Tunable Nanoparticle Loading

Authors: Rachel M. Sun, Andrew Y. Chen, Yiming Ji, Daryl W. Yee, Carlos M. Portela

Abstract: Magnetic remote actuation of soft materials has been demonstrated at the macroscale using hard-magnetic particles for applications such as transforming materials and medical robots. However, due to manufacturing limitations, few microscale magnetically responsive devices exist -- light-based additive manufacturing methods, which are ideal for realizing microscale features, struggle with light scat… ▽ More Magnetic remote actuation of soft materials has been demonstrated at the macroscale using hard-magnetic particles for applications such as transforming materials and medical robots. However, due to manufacturing limitations, few microscale magnetically responsive devices exist -- light-based additive manufacturing methods, which are ideal for realizing microscale features, struggle with light scattering induced by the magnetic particles. Moreover, large hard-magnetic microparticles prevent high-resolution features from being manufactured altogether, and soft-magnetic nanoparticles require impractically high loading and high magnetic gradients, incompatible with existing printing techniques. Among successfully fabricated microscale soft-magnetic composites, limited control over magnetic-particle loading, distribution, and matrix-phase stiffness has hindered their functionality. Here, we combine two-photon lithography with iron-oxide nanoparticle co-precipitation to fabricate 3D-printed microscale nanocomposites having features down to 8 um with spatially tunable nanoparticle distribution. Using uniaxial compression experiments and vibrating sample magnetometry, we characterize the mechanical and magnetic properties of the composite, achieving millimeter-scale elastic deformations. We control nanoparticle content by modulating laser power of the print to imbue complex parts with magnetic functionality, demonstrated by a soft robotic gripper and a bistable bit register and sensor. This approach enables precise control of structure and functionality, advancing the development of microscale metamaterials and robots with tunable mechanical and magnetic properties. △ Less

Submitted 8 October, 2025; originally announced October 2025.

Comments: 28 pages, 6 figures, 6 supplementary figures

Magnon-Magnon Interaction Induced by Dynamic Coupling in a Hybrid Magnonic Crystal

Authors: Rawnak Sultana, Mojtaba Taghipour Kaffash, Gianluca Gubbiotti, Yi Ji, M. Benjamin Jungfleisch, Federico Montoncello

Abstract: We report a combined experimental and numerical investigation of spin-wave dynamics in a hybrid magnonic crystal consisting of a CoFeB artificial spin ice (ASI) of stadium-shaped nanoelements patterned atop a continuous NiFe film, separated by a 5 nm Al2O3 spacer. Using Brillouin light scattering spectroscopy, we probe the frequency dependence of thermal spin waves as functions of applied magnetic… ▽ More We report a combined experimental and numerical investigation of spin-wave dynamics in a hybrid magnonic crystal consisting of a CoFeB artificial spin ice (ASI) of stadium-shaped nanoelements patterned atop a continuous NiFe film, separated by a 5 nm Al2O3 spacer. Using Brillouin light scattering spectroscopy, we probe the frequency dependence of thermal spin waves as functions of applied magnetic field and wavevector, revealing the decisive role of interlayer dipolar coupling in the magnetization dynamics. Micromagnetic simulations complement the experiments, showing a strong interplay between ASI edge modes and backward volume modes in the NiFe film. The contrast in saturation magnetization between CoFeB and NiFe enhances this coupling, leading to a pronounced hybridization manifested as a triplet of peaks in the spectra - predicted by simulations and observed experimentally. This magnon-magnon coupling persists over a wide magnetic field range, shaping both the spin-wave dispersion and frequency-field response throughout the hysteresis loop. Our findings establish how ASI geometry can selectively enhance specific spin-wave wavelengths in the underlying film, identifying them as preferential channels for magnonic signal transport and manipulation. △ Less

Submitted 7 October, 2025; originally announced October 2025.

High-capacity associative memory in a quantum-optical spin glass

Authors: Brendan P. Marsh, David Atri Schuller, Yunpeng Ji, Henry S. Hunt, Surya Ganguli, Sarang Gopalakrishnan, Jonathan Keeling, Benjamin L. Lev

Abstract: The Hopfield model describes a neural network that stores memories using all-to-all-coupled spins. Memory patterns are recalled under equilibrium dynamics. Storing too many patterns breaks the associative recall process because frustration causes an exponential number of spurious patterns to arise as the network becomes a spin glass. Despite this, memory recall in a spin glass can be restored, and… ▽ More The Hopfield model describes a neural network that stores memories using all-to-all-coupled spins. Memory patterns are recalled under equilibrium dynamics. Storing too many patterns breaks the associative recall process because frustration causes an exponential number of spurious patterns to arise as the network becomes a spin glass. Despite this, memory recall in a spin glass can be restored, and even enhanced, under quantum-optical nonequilibrium dynamics because spurious patterns can now serve as reliable memories. We experimentally observe associative memory with high storage capacity in a driven-dissipative spin glass made of atoms and photons. The capacity surpasses the Hopfield limit by up to seven-fold in a sixteen-spin network. Atomic motion boosts capacity by dynamically modifying connectivity akin to short-term synaptic plasticity in neural networks, realizing a precursor to learning in a quantum-optical system. △ Less

Submitted 15 September, 2025; originally announced September 2025.

Comments: 6 pages plus references, 4 figures; supplemental materials, 17 pages, 10 figures

Phonon-scattering-induced quantum linear magnetoresistance up to room temperature

Authors: Nannan Tang, Shuai Li, Yanzhao Liu, Jiayi Yang, Huakun Zuo, Gangjian Jin, Yi Ji, Bing Shen, Dingyong Zhong, Donghui Guo, Qizhong Zhu, Zhongbo Yan, Haizhou Lu, Jian Wang, Huichao Wang

Abstract: The realization of quantum transport effects at elevated temperatures has long intrigued researchers due to the implications for unveiling novel physics and developing quantum devices. In this work, we report remarkable quantum linear magnetoresistance (LMR) in the Weyl semiconductor tellurium at high temperatures of 40-300 K under strong magnetic fields up to 60 T. At high fields, the Weyl band f… ▽ More The realization of quantum transport effects at elevated temperatures has long intrigued researchers due to the implications for unveiling novel physics and developing quantum devices. In this work, we report remarkable quantum linear magnetoresistance (LMR) in the Weyl semiconductor tellurium at high temperatures of 40-300 K under strong magnetic fields up to 60 T. At high fields, the Weyl band features a large energy gap between the lowest and first Landau levels, which suppresses thermal excitation and preserves Landau quantization at high temperatures. The LMR is observed as long as majority carriers remain in the lowest Landau level without requiring monochromaticity, allowing it to persist up to room temperature. The inverse relationship between the LMR slope and temperature provides clear evidence that quantum LMR originates from high-temperature phonon scattering in the quantum limit, firstly demonstrating a theoretical prediction made nearly fifty years ago. This study highlights the key role of electron-phonon interaction and reveals an innovative quantum mechanism for achieving high-temperature LMR, fundamentally distinct from previous findings. Our results bridge a gap in the understanding of phonon-mediated quantum-limit physics and establish strong magnetic fields at high temperatures as a promising platform for exploring novel quantum phenomena. △ Less

Submitted 27 August, 2025; originally announced August 2025.

Designing Two-Dimensional Octuple-Atomic-Layer M$_2$A$_2$Z$_4$ as Promising Photocatalysts for Overall Water Splitting

Authors: Dingyanyan Zhou, Yujin Ji, Mir F. Mousavi, Youyong Li

Abstract: Two-dimensional (2D) materials have emerged as promising candidates as photocatalytic materials due to their large surface areas and tunable electronic properties. In this work, we systematically design and screen a series of octuple-atomic-layer M$_2$A$_2$Z$_4$ monolayers (M = Al, Ga, In; A = Si, Ge, Sn; Z = N, P, As) using first-principles calculations. 108 structures are constructed by intercal… ▽ More Two-dimensional (2D) materials have emerged as promising candidates as photocatalytic materials due to their large surface areas and tunable electronic properties. In this work, we systematically design and screen a series of octuple-atomic-layer M$_2$A$_2$Z$_4$ monolayers (M = Al, Ga, In; A = Si, Ge, Sn; Z = N, P, As) using first-principles calculations. 108 structures are constructed by intercalation approach, followed by a comprehensive evaluation of their thermodynamic and dynamic stability, band gaps, and band edge alignments to assess their potential for photocatalytic overall water splitting. Among them, eight candidates meet the criteria for overall water splitting under acidic condition (pH = 0), and Al$_2$Si$_2$N$_4$ and Al$_2$Ge$_2$N$_4$, further exhibit suitable band edge positions for photocatalysis under both acidic and neutral environments (pH = 0 and 7). Al$_2$Si$_2$N$_4$ and Al$_2$Ge$_2$N$_4$ also show pronounced visible-light absorption and structural stability in aqueous conditions. Importantly, the introduction of N vacancies on the surfaces of Al$_2$Si$_2$N$_4$ and Al$_2$Ge$_2$N$_4$ significantly enhances their catalytic activity for both hydrogen reduction and water oxidation reactions, further supporting their potential as photocatalysts for overall water splitting. Our study provides theoretical insights for the rational design of efficient and stable 2D photocatalysts for overall water splitting. △ Less

Submitted 26 July, 2025; v1 submitted 19 July, 2025; originally announced July 2025.

Repeated ancilla reuse for logical computation on a neutral atom quantum computer

Authors: J. A. Muniz, D. Crow, H. Kim, J. M. Kindem, W. B. Cairncross, A. Ryou, T. C. Bohdanowicz, C. -A. Chen, Y. Ji, A. M. W. Jones, E. Megidish, C. Nishiguchi, M. Urbanek, L. Wadleigh, T. Wilkason, D. Aasen, K. Barnes, J. M. Bello-Rivas, I. Bloomfield, G. Booth, A. Brown, M. O. Brown, K. Cassella, G. Cowan, J. Epstein , et al. (37 additional authors not shown)

Abstract: Quantum processors based on neutral atoms trapped in arrays of optical tweezers have appealing properties, including relatively easy qubit number scaling and the ability to engineer arbitrary gate connectivity with atom movement. However, these platforms are inherently prone to atom loss, and the ability to replace lost atoms during a quantum computation is an important but previously elusive capa… ▽ More Quantum processors based on neutral atoms trapped in arrays of optical tweezers have appealing properties, including relatively easy qubit number scaling and the ability to engineer arbitrary gate connectivity with atom movement. However, these platforms are inherently prone to atom loss, and the ability to replace lost atoms during a quantum computation is an important but previously elusive capability. Here, we demonstrate the ability to measure and re-initialize, and if necessary replace, a subset of atoms while maintaining coherence in other atoms. This allows us to perform logical circuits that include single and two-qubit gates as well as repeated midcircuit measurement while compensating for atom loss. We highlight this capability by performing up to 41 rounds of syndrome extraction in a repetition code, and combine midcircuit measurement and atom replacement with real-time conditional branching to demonstrate heralded state preparation of a logically encoded Bell state. Finally, we demonstrate the ability to replenish atoms in a tweezer array from an atomic beam while maintaining coherence of existing atoms -- a key step towards execution of logical computations that last longer than the lifetime of an atom in the system. △ Less

Submitted 11 June, 2025; originally announced June 2025.

Comments: 15 pages, 10 figures

A multimode cavity QED Ising spin glass

Authors: Brendan P. Marsh, David Atri Schuller, Yunpeng Ji, Henry S. Hunt, Giulia Z. Socolof, Deven P. Bowman, Jonathan Keeling, Benjamin L. Lev

Abstract: We realize a driven-dissipative Ising spin glass using cavity QED in a novel ``4/7" multimode geometry. Gases of ultracold atoms trapped within the cavity by optical tweezers serve as effective spins. They are coupled via randomly signed, all-to-all Ising cavity-mediated interactions. Networks of up to n = 25 spins are holographically imaged via cavity emission. The system is driven through a frus… ▽ More We realize a driven-dissipative Ising spin glass using cavity QED in a novel ``4/7" multimode geometry. Gases of ultracold atoms trapped within the cavity by optical tweezers serve as effective spins. They are coupled via randomly signed, all-to-all Ising cavity-mediated interactions. Networks of up to n = 25 spins are holographically imaged via cavity emission. The system is driven through a frustrated transverse-field Ising transition, and we show that the entropy of the spin glass states depends on the rate at which the transition is crossed. Despite being intrinsically nonequilibrium, the system exhibits phenomena associated with Parisi's theory of equilibrium spin glasses, namely replica symmetry breaking (RSB) and ultrametric structure. For system sizes up to n = 16, we measure the Parisi function q(x), Edwards-Anderson overlap q_EA, and ultrametricity K-correlator; all indicate a deeply ordered spin glass under RSB. The system can serve as an associative memory and enable aging and rejuvenation studies in driven-dissipative spin glasses at the microscopic level. △ Less

Submitted 28 May, 2025; originally announced May 2025.

Comments: 7 pages, 4 figures, 19 pages of supplemental information including 9 figures

Journal ref: Physical Review Letters 135, 160403 (2025)

Demonstration of highly scaled AlScN ferroelectric diode memory with storage density > 100 Mbit/mm$^2$

Authors: Zekun Hu, Hyunmin Cho, Rajeev Kumar Rai, Kefei Bao, Yinuo Zhang, Zhaosen Qu, Yunfei He, Yaoyang Ji, Chloe Leblanc, Kwan-Ho Kim, Zirun Han, Zhen Qiu, Xingyu Du, Eric A. Stach, Roy Olsson, Deep Jariwala

Abstract: Wurtzite nitride ferroelectric materials have emerged as promising candidates for next-generation memory applications due to their exceptional polarization properties and compatibility with conventional semiconductor processing techniques. Here, we demonstrate the first successful areal scaling of Aluminum Scandium Nitride (AlScN) ferroelectric diode (FeDiode) memory down to 40 nm device diameters… ▽ More Wurtzite nitride ferroelectric materials have emerged as promising candidates for next-generation memory applications due to their exceptional polarization properties and compatibility with conventional semiconductor processing techniques. Here, we demonstrate the first successful areal scaling of Aluminum Scandium Nitride (AlScN) ferroelectric diode (FeDiode) memory down to 40 nm device diameters while maintaining ON/OFF > 60. Using a 20 nm thick Al0.64Sc0.36N ferroelectric layer, we evaluate both metal-insulator-ferroelectric-metal (MIFM) and metal-ferroelectric-metal (MFM) architectures for scaled resistive memory devices. Our scaled devices exhibit an enhanced breakdown-to-coercive field ratio exceeding 2.6 due to increased breakdown field. The MIFM devices demonstrate stable 3-bit non-volatile multistate behavior with clearly distinguishable resistance states and retention exceeding 4*10^4 seconds at 85 C. By achieving more than a million-fold areal scaling with enhanced performance metrics, this work establishes AlScN-based FeDiode memory as a highly promising platform for non-volatile storage with potential for direct integration into CMOS technology. △ Less

Submitted 30 August, 2025; v1 submitted 17 April, 2025; originally announced April 2025.

Comments: 4 figures and 1 table

Phase-Field Model of Solution and Stoichiometric Phases with Molar Volume Difference

Authors: Chengyin Wu, Yanzhou Ji

Abstract: Phase-field models have proven indispensable for deciphering the microstructure complexities inherent in multicomponent systems. The confluence of varying phase molar volumes presents unique challenges. Understanding the impact of molar volume differences on multiphase systems is of crucial significance, as it directly influences the system's thermodynamic and kinetic behavior, as well as resultin… ▽ More Phase-field models have proven indispensable for deciphering the microstructure complexities inherent in multicomponent systems. The confluence of varying phase molar volumes presents unique challenges. Understanding the impact of molar volume differences on multiphase systems is of crucial significance, as it directly influences the system's thermodynamic and kinetic behavior, as well as resulting phase morphologies and distributions. In this study, we developed a phase-field model of solution and stoichiometric phases that can account for the molar volume differences. With the phase molar volumes taken from existing CALPHAD thermodynamic databases, we quantitatively investigated how the different molar volume settings would influence the growth rate and morphologies of stoichiometric $θ^\prime$-\ce{Al2Cu} and $β$-\ce{Al140Mg89} precipitates in Al-based alloys. We anticipate that this approach can be applied to various materials systems with phase- and composition-dependent molar volumes for more accurate phase-field predictions. △ Less

Submitted 21 March, 2025; originally announced March 2025.

Emergence of Fermi's Golden Rule in the Probing of a Quantum Many-Body System

Authors: Jianyi Chen, Songtao Huang, Yunpeng Ji, Grant L. Schumacher, Alan Tsidilkovski, Alexander Schuckert, Gabriel G. T. Assumpção, Nir Navon

Abstract: Fermi's Golden Rule (FGR) is one of the most impactful formulas in quantum mechanics, providing a link between easy-to-measure observables - such as transition rates - and fundamental microscopic properties - such as density of states or spectral functions. Its validity relies on three key assumptions: the existence of a continuum, an appropriate time window, and a weak coupling. Understanding the… ▽ More Fermi's Golden Rule (FGR) is one of the most impactful formulas in quantum mechanics, providing a link between easy-to-measure observables - such as transition rates - and fundamental microscopic properties - such as density of states or spectral functions. Its validity relies on three key assumptions: the existence of a continuum, an appropriate time window, and a weak coupling. Understanding the regime of validity of FGR is critical for the proper interpretation of most spectroscopic experiments. While the assumptions underlying FGR are straightforward to analyze in simple models, their applicability is significantly more complex in quantum many-body systems. Here, we observe the emergence and breakdown of FGR, using a strongly interacting homogeneous spin-$1/2$ Fermi gas coupled to a radio-frequency (rf) field. Measuring the transition probability into an outcoupled internal state, we map the system's dynamical response diagram versus the rf-pulse duration $t$ and Rabi frequency $Ω_0$. For weak drives, we identify three regimes: an early-time regime where the transition probability takes off as $t^2$, an intermediate-time FGR regime, and a long-time non-perturbative regime. Beyond a threshold Rabi frequency, Rabi oscillations appear. Our results provide a blueprint for the applicability of linear response theory to the spectroscopy of quantum many-body systems. △ Less

Submitted 28 April, 2025; v1 submitted 20 February, 2025; originally announced February 2025.

ABACUS: An Electronic Structure Analysis Package for the AI Era

Authors: Weiqing Zhou, Daye Zheng, Qianrui Liu, Denghui Lu, Yu Liu, Peize Lin, Yike Huang, Xingliang Peng, Jie J. Bao, Chun Cai, Zuxin Jin, Jing Wu, Haochong Zhang, Gan Jin, Yuyang Ji, Zhenxiong Shen, Xiaohui Liu, Liang Sun, Yu Cao, Menglin Sun, Jianchuan Liu, Tao Chen, Renxi Liu, Yuanbo Li, Haozhi Han , et al. (33 additional authors not shown)

Abstract: ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and molecular dynamics functions and is compatible with both plane-wave basis sets and numerical atomic orbital basis sets. ABACUS serves as a platform that facilitates th… ▽ More ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and molecular dynamics functions and is compatible with both plane-wave basis sets and numerical atomic orbital basis sets. ABACUS serves as a platform that facilitates the integration of various electronic structure methods, such as Kohn-Sham DFT, stochastic DFT, orbital-free DFT, and real-time time-dependent DFT, etc. In addition, with the aid of high-performance computing, ABACUS is designed to perform efficiently and provide massive amounts of first-principles data for generating general-purpose machine learning potentials, such as DPA models. Furthermore, ABACUS serves as an electronic structure platform that interfaces with several AI-assisted algorithms and packages, such as DeePKS-kit, DeePMD, DP-GEN, DeepH, DeePTB, HamGNN, etc. △ Less

Submitted 22 October, 2025; v1 submitted 15 January, 2025; originally announced January 2025.

Exploring nontrivial topology at quantum criticality in a superconducting processor

Authors: Ziqi Tan, Ke Wang, Sheng Yang, Fanhao Shen, Feitong Jin, Xuhao Zhu, Yujie Ji, Shibo Xu, Jiachen Chen, Yaozu Wu, Chuanyu Zhang, Yu Gao, Ning Wang, Yiren Zou, Aosai Zhang, Tingting Li, Zehang Bao, Zitian Zhu, Jiarun Zhong, Zhengyi Cui, Yihang Han, Yiyang He, Han Wang, Jianan Yang, Yanzhe Wang , et al. (15 additional authors not shown)

Abstract: The discovery of nontrivial topology in quantum critical states has introduced a new paradigm for classifying quantum phase transitions and challenges the conventional belief that topological phases are typically associated with a bulk energy gap. However, realizing and characterizing such topologically nontrivial quantum critical states with large particle numbers remains an outstanding experimen… ▽ More The discovery of nontrivial topology in quantum critical states has introduced a new paradigm for classifying quantum phase transitions and challenges the conventional belief that topological phases are typically associated with a bulk energy gap. However, realizing and characterizing such topologically nontrivial quantum critical states with large particle numbers remains an outstanding experimental challenge in statistical and condensed matter physics. Programmable quantum processors can directly prepare and manipulate exotic quantum many-body states, offering a powerful path for exploring the physics behind these states. Here, we present an experimental exploration of the critical cluster Ising model by preparing its low-lying critical states on a superconducting processor with up to $100$ qubits. We develop an efficient method to probe the boundary $g$-function based on prepared low-energy states, which allows us to uniquely identify the nontrivial topology of the critical systems under study. Furthermore, by adapting the entanglement Hamiltonian tomography technique, we recognize two-fold topological degeneracy in the entanglement spectrum under periodic boundary condition, experimentally verifying the universal bulk-boundary correspondence in topological critical systems. Our results demonstrate the low-lying critical states as useful quantum resources for investigating the interplay between topology and quantum criticality. △ Less

Submitted 8 January, 2025; originally announced January 2025.

Modeling Extensive Defects in Metals through Classical Potential-Guided Sampling and Automated Configuration Reconstruction

Authors: Fei Shuang, Kai Liu, Yucheng Ji, Wei Gao, Luca Laurenti, Poulumi Dey

Abstract: Extended defects such as dislocation networks and general grain boundaries are ubiquitous in metals, and accurately modeling these extensive defects is crucial for understanding their deformation mechanisms. Existing machine learning interatomic potentials (MLIPs) often fall short in adequately describing these defects, as their significant characteristic sizes exceed the computational limits of f… ▽ More Extended defects such as dislocation networks and general grain boundaries are ubiquitous in metals, and accurately modeling these extensive defects is crucial for understanding their deformation mechanisms. Existing machine learning interatomic potentials (MLIPs) often fall short in adequately describing these defects, as their significant characteristic sizes exceed the computational limits of first-principles calculations. In this study, we address these challenges by establishing a comprehensive defect genome through empirical interatomic potential-guided sampling. To further enable accurate first-principles calculations on this defect genome, we have developed an automated configuration reconstruction technique. This method transforms defect atomic clusters into periodic configurations through precise atom insertion, utilizing Grand Canonical Monte Carlo simulations. These strategies enable the development of highly accurate and transferable MLIPs for modeling extensive defects in metals. Using body-centered cubic tungsten as a model system, we develop an MLIP that reveals unique plastic mechanisms in simulations of nanoindentation. This framework not only improves the modeling accuracy of extensive defects in crystalline materials but also establishes a robust foundation for further advancement of MLIP development through the strategic use of defect genomes. △ Less

Submitted 27 January, 2025; v1 submitted 11 November, 2024; originally announced November 2024.

High proton conductivity through angstrom-porous titania

Authors: Y. Ji, G. -P. Hao, Y. -T. Tan, W. Q. Xiong, Y. Liu, W. Z. Zhou, D. -M. Tang, R. Z. Ma, S. J. Yuan, T. Sasaki, M. Lozada-Hidalgo, A. K. Geim, Pengzhan Sun

Abstract: Two dimensional (2D) crystals have attracted strong interest as a new class of proton conducting materials that can block atoms, molecules and ions while allowing proton transport through the atomically thin basal planes. Although 2D materials exhibit this perfect selectivity, the reported proton conductivities have been relatively low. Here we show that vacancy-rich titania monolayers are highly… ▽ More Two dimensional (2D) crystals have attracted strong interest as a new class of proton conducting materials that can block atoms, molecules and ions while allowing proton transport through the atomically thin basal planes. Although 2D materials exhibit this perfect selectivity, the reported proton conductivities have been relatively low. Here we show that vacancy-rich titania monolayers are highly permeable to protons while remaining impermeable to helium with proton conductivity exceeding 100 S cm-2 at 200 C and surpassing targets set by industry roadmaps. The fast and selective proton transport is attributed to an extremely high density of titanium-atom vacancies (one per square nm), which effectively turns titania monolayers into angstrom-scale sieves. Our findings highlight the potential of 2D oxides as membrane materials for hydrogen-based technologies. △ Less

Submitted 8 October, 2024; originally announced October 2024.

Journal ref: Nature Communications 15, 10546 (2024)

Identifying Independent Components and Internal Process Order Parameters in Nonequilibrium Multicomponent Nonstoichiometric Compounds

Authors: Yanzhou Ji, Yueze Tan, Long-Qing Chen

Abstract: In CALPHAD-type thermodynamic databases, nonstoichiometric compounds are typically described by sublattice models where the sublattice site fractions represent the occupation probability of different atomic, ionic or defect species on different sublattices. Here, we develop a general procedure and corresponding linear algebra tools for converting the sublattice site fractions to a combination of i… ▽ More In CALPHAD-type thermodynamic databases, nonstoichiometric compounds are typically described by sublattice models where the sublattice site fractions represent the occupation probability of different atomic, ionic or defect species on different sublattices. Here, we develop a general procedure and corresponding linear algebra tools for converting the sublattice site fractions to a combination of independent component compositions and internal process order parameters describing the extent of internal atomic exchange, electronic redox and defect generation reactions. We apply them to a number of nonstoichiometric phases in thermodynamic databases and literature. The general procedure can be applied to constructing thermodynamic databases in terms of internal process order parameters for nonstoichiometric phases in multicomponent systems such as high-entropy oxides and alloys, which can be utilized to model their kinetics of nonequilibrium processes and microstructure evolution. △ Less

Submitted 7 January, 2025; v1 submitted 4 October, 2024; originally announced October 2024.

Journal ref: CALPHAD 89 (2005) 102807

Decoding the hidden dynamics of super-Arrhenius hydrogen diffusion in multi-principal element alloys via machine learning

Authors: Fei Shuang, Yucheng Ji, Zixiong Wei, Chaofang Dong, Wei Gao, Luca Laurenti, Poulumi Dey

Abstract: Understanding atomic hydrogen (H) diffusion in multi-principal element alloys (MPEAs) is essential for advancing clean energy technologies such as H transport, storage, and nuclear fusion applications. However, the vast compositional space and the intricate chemical environments inherent in MPEAs pose significant obstacles. In this work, we address this challenge by developing a multifaceted machi… ▽ More Understanding atomic hydrogen (H) diffusion in multi-principal element alloys (MPEAs) is essential for advancing clean energy technologies such as H transport, storage, and nuclear fusion applications. However, the vast compositional space and the intricate chemical environments inherent in MPEAs pose significant obstacles. In this work, we address this challenge by developing a multifaceted machine learning framework that integrates machine-learning force field, neural network-driven kinetic Monte Carlo, and machine-learning symbolic regression. This framework allows for accurate investigation of H diffusion across the entire compositional space of body-centered cubic (BCC) refractory MoNbTaW alloys, achieving density functional theory accuracy. For the first time, we discover that H diffusion in MPEAs exhibits super-Arrhenius behavior, described by the Vogel-Fulcher-Tammann model, where the Vogel temperature correlates with the 5th percentile of H solution energy spectrum. We also derive robust analytical expressions that can be used to predict H diffusivity in general BCC MPEAs. Our findings further elucidate that chemical short-range order (SRO) generally does not impact H diffusion, except it enhances diffusion when "H-favoring" elements (notably Nb and Ta) are present in low concentrations. These findings not only enhance our understanding of H diffusion dynamics in general MPEAs but also guide the development of advanced MPEAs in H-related applications by manipulating element type, composition and SRO. △ Less

Submitted 22 September, 2024; originally announced September 2024.

Dispersion of first sound in a weakly interacting ultracold Fermi liquid

Authors: Thomas Repplinger, Songtao Huang, Yunpeng Ji, Nir Navon, Hadrien Kurkjian

Abstract: At low temperature, a normal gas of unpaired spin-1/2 fermions is one of the cleanest realizations of a Fermi liquid. It is described by Landau's theory, where no phenomenological parameters are needed as the quasiparticle interaction function can be computed perturbatively in powers of the scattering length $a$, the sole parameter of the short-range interparticle interactions. Obtaining an accura… ▽ More At low temperature, a normal gas of unpaired spin-1/2 fermions is one of the cleanest realizations of a Fermi liquid. It is described by Landau's theory, where no phenomenological parameters are needed as the quasiparticle interaction function can be computed perturbatively in powers of the scattering length $a$, the sole parameter of the short-range interparticle interactions. Obtaining an accurate solution of the transport equation nevertheless requires a careful treatment of the collision kernel, {as the uncontrolled error made by the relaxation time approximations increases when the temperature $T$ drops below the Fermi temperature}. Here, we study sound waves in the hydrodynamic regime up to second order in the Chapman-Enskog's expansion. We find that the frequency $ω_q$ of the sound wave is shifted above its linear departure as $ω_q=c_1 q(1+αq^2τ^2)$ where $c_1$ and $q$ are the speed and wavenumber of the sound wave and the typical collision time $τ$ scales as $1/a^2T^2$. Besides the shear viscosity, the coefficient $α$ is described by a single second-order collision time which we compute exactly from an analytical solution of the transport equation, resulting in a positive dispersion $α>0$. Our results suggest that ultracold atomic Fermi gases are an ideal experimental system for quantitative tests of second-order hydrodynamics. △ Less

Submitted 2 September, 2025; v1 submitted 16 September, 2024; originally announced September 2024.

Comments: 10 pages, 3 figures

Journal ref: Ann. Phys. (Berlin) 2025, e00181

A "Redox-free" Synthesis of CZTS Nano Ink

Authors: Yixiong Ji, Paul Mulvaney

Abstract: A large open-circuit (V$_{oc}$) deficit restricts current kesterite device performance. The primary challenge is to achieve control over the phase composition and purity of the kesterite absorber. This is hampered by the fact that the metals copper and tin have multiple valence states and this leads inevitably to the formation of multiple phases. Specifically for solution-based fabrication procedu… ▽ More A large open-circuit (V$_{oc}$) deficit restricts current kesterite device performance. The primary challenge is to achieve control over the phase composition and purity of the kesterite absorber. This is hampered by the fact that the metals copper and tin have multiple valence states and this leads inevitably to the formation of multiple phases. Specifically for solution-based fabrication procedures for kesterite, the pursuit of phase purity extends to the synthesis of CZTS precursor solution or nanoparticle dispersed inks (nano inks). In this work, a "redox-free" synthesis of CZTS nano ink is developed by mixing metal precursors with careful valence state control in non-toxic solvents. The issue of secondary phase formation during the synthesis process of kesterite is effectively resolved. Additionally, molecular solutions and nanoparticle inks with identical compositions exhibit significantly different abilities in phase control. Nanoparticles pre-synthesized in the solution state exhibit superior phase control by following a more ideal phase formation path. This provides a new pathway for the synthesis of kesterite with unprecedented control of the phase composition and purity. △ Less

Submitted 28 August, 2024; originally announced August 2024.

A quasi-ohmic back contact achieved by inserting single-crystal graphene in flexible Kesterite solar cells

Authors: Yixiong Ji, Wentong Yang, Di Yan, Wei Luo, Jialu Li, Shi Tang, Jintao Fu, James Bullock, Mei Gao, Xin Li, Zhancheng Li, Jun Yang, Xingzhan Wei, Haofei Shi, Fangyang Liu, Paul Mulvaney

Abstract: Flexible photovoltaics with a lightweight and adaptable nature that allows for deployment on curved surfaces and in building facades have always been a goal vigorously pursued by researchers in thin-film solar cell technology. The recent strides made in improving the sunlight-to-electricity conversion efficiency of kesterite Cu$_{2}$ZnSn(S, Se)$_{4}$ (CZTSSe) suggest it to be a perfect candidate.… ▽ More Flexible photovoltaics with a lightweight and adaptable nature that allows for deployment on curved surfaces and in building facades have always been a goal vigorously pursued by researchers in thin-film solar cell technology. The recent strides made in improving the sunlight-to-electricity conversion efficiency of kesterite Cu$_{2}$ZnSn(S, Se)$_{4}$ (CZTSSe) suggest it to be a perfect candidate. However, making use of rare Mo foil in CZTSSe solar cells causes severe problems in thermal expansion matching, uneven grain growth, and severe problems at the back contact of the devices. Herein, a strategy utilizing single-crystal graphene to modify the back interface of flexible CZTSSe solar cells is proposed. It will be shown that the insertion of graphene at the Mo foil/CZTSSe interface provides strong physical support for the subsequent deposition of the CZTSSe absorber layer, improving the adhesion between the absorber layer and the Mo foil substrate. Additionally, the graphene passivates the rough sites on the surface of the Mo foil, enhancing the chemical homogeneity of the substrate, and resulting in a more crystalline and homogeneous CZTSSe absorber layer on the Mo foil substrate. The detrimental reaction between Mo and CZTSSe has also been eliminated. Through an analysis of the electrical properties, it is found that the introduction of graphene at the back interface promotes the formation of a quasi-ohmic contact at the back contact, decreasing the back contact barrier of the solar cell, and leading to efficient collection of charges at the back interface. This investigation demonstrates that solution-based CZTSSe photovoltaic devices could form the basis of cheap and flexible solar cells. △ Less

Submitted 28 August, 2024; originally announced August 2024.

A Metastable Pentagonal 2D Material Synthesized by Symmetry-Driven Epitaxy

Authors: Lina Liu, Yujin Ji, Marco Bianchi, Saban M. Hus, Zheshen Li, Richard Balog, Jill A. Miwa, Philip Hofmann, An-ping Li, Dmitry Y. Zemlyanov, Youyong Li, Yong P. Chen

Abstract: Most two-dimensional (2D) materials experimentally studied so far have hexagons as their building blocks. Only a few exceptions, such as PdSe2, are lower in energy in pentagonal phases and exhibit pentagons as building blocks. While theory has predicted a large number of pentagonal 2D materials, many of them are metastable and their experimental realization is difficult. Here we report the success… ▽ More Most two-dimensional (2D) materials experimentally studied so far have hexagons as their building blocks. Only a few exceptions, such as PdSe2, are lower in energy in pentagonal phases and exhibit pentagons as building blocks. While theory has predicted a large number of pentagonal 2D materials, many of them are metastable and their experimental realization is difficult. Here we report the successful synthesis of a metastable pentagonal 2D material, the monolayer pentagonal PdTe2, by symmetry-driven epitaxy. Scanning tunneling microscopy and complementary spectroscopy measurements are used to characterize the monolayer pentagonal PdTe2, which demonstrates well-ordered low-symmetry atomic arrangements and is stabilized by lattice matching with the underlying Pd(100) substrate. Theoretical calculations, along with angle-resolved photoemission spectroscopy, reveal monolayer pentagonal PdTe2 is a semiconductor with an indirect bandgap of 1.05 eV. Our work opens an avenue for the synthesis of pentagon-based 2D materials and gives opportunities to explore their applications such as multifunctional nanoelectronics. △ Less

Submitted 7 August, 2024; originally announced August 2024.

Spin density wave in the bilayered nickelate La$_3$Ni$_2$O$_{7-δ}$ at ambient pressure

Authors: Xiao-Sheng Ni, Yuyang Ji, Lixin He, Tao Xie, Dao-Xin Yao, Meng Wang, Kun Cao

Abstract: The recent discovery of high-temperature superconductivity in high-pressurized La$_3$Ni$_2$O$_{7-δ}$ has garnered significant attention. Using density functional theory, we investigate the magnetic properties of La$_3$Ni$_2$O$_{7-δ}$ at ambient pressure. Our calculations suggest that with $δ=0$, the double spin stripe phase is favored as the magnetic ground state. Oxygen vacancies may effectively… ▽ More The recent discovery of high-temperature superconductivity in high-pressurized La$_3$Ni$_2$O$_{7-δ}$ has garnered significant attention. Using density functional theory, we investigate the magnetic properties of La$_3$Ni$_2$O$_{7-δ}$ at ambient pressure. Our calculations suggest that with $δ=0$, the double spin stripe phase is favored as the magnetic ground state. Oxygen vacancies may effectively turn nearest Ni spins into \textit{charge} sites. Consequently, with moderate $δ$ values, our theoretical magnetic ground state exhibits characteristics of both double spin stripe and spin-charge stripe configurations, providing a natural explanation to reconcile the seemingly contradictory experimental findings that suggest both the configurations as candidates for the spin-density-wave phase. With higher $δ$ values, we anticipate the ground state to become a spin-glass-like noncollinear magnetic phase with only short-range order. The oxygen vacancies are expected to significantly impact the magnetic excitations and the transition temperatures $T_{SDW}$. Notably, the magnetic ordering also induces concomitant charge ordering and orbital ordering, driven by spin-lattice coupling under the low symmetry magnetic order. We further offer a plausible explanation for the experimental observations that the measured $T_{SDW}$ appears insensitive to the variation of samples and the lack of direct evidence for long-range magnetic ordering. △ Less

Submitted 27 December, 2024; v1 submitted 27 July, 2024; originally announced July 2024.

Emergence of Sound in a Tunable Fermi Fluid

Authors: Songtao Huang, Yunpeng Ji, Thomas Repplinger, Gabriel G. T. Assumpção, Jianyi Chen, Grant L. Schumacher, Franklin J. Vivanco, Hadrien Kurkjian, Nir Navon

Abstract: Landau's Fermi-liquid (FL) theory has been successful at the phenomenological description of the normal phase of many different Fermi systems. Using a dilute atomic Fermi fluid with tunable interactions, we investigate the microscopic basis of Landau's theory with a system describable from first principles. We study transport properties of an interacting Fermi gas by measuring its density response… ▽ More Landau's Fermi-liquid (FL) theory has been successful at the phenomenological description of the normal phase of many different Fermi systems. Using a dilute atomic Fermi fluid with tunable interactions, we investigate the microscopic basis of Landau's theory with a system describable from first principles. We study transport properties of an interacting Fermi gas by measuring its density response to a periodic external perturbation. In an ideal Fermi gas, we measure for the first time the celebrated Lindhard function. As the system is brought from the collisionless to the hydrodynamic regime, we observe the emergence of sound, and find that the experimental observations are quantitatively understood with a first-principle transport equation for the FL. When the system is more strongly interacting, we find deviations from such predictions. Finally, we observe the shape of the quasiparticle excitations directly from momentum-space tomography and see how it evolves from the collisionless to the collisional regime. Our study establishes this system as a clean platform for studying Landau's theory of the FL and paves the way for extending the theory to more exotic conditions, such as nonlinear dynamics and FLs with strong correlations in versatile settings. △ Less

Submitted 18 July, 2024; originally announced July 2024.

Journal ref: Phys. Rev. X 15, 011074 (2025)

Corrosion-resistant aluminum alloy design through machine learning combined with high-throughput calculations

Authors: Yucheng Ji, Xiaoqian Fu, Feng Ding, Yongtao Xu, Yang He, Min Ao, Fulai Xiao, Dihao Chen, Poulumi Dey, Kui Xiao, Jingli Ren, Xiaogang Li, Chaofang Dong

Abstract: Efficiently designing lightweight alloys with combined high corrosion resistance and mechanical properties remains an enduring topic in materials engineering. To this end, machine learning (ML) coupled ab-initio calculations is proposed within this study. Due to the inadequate accuracy of conventional stress-strain ML models caused by corrosion factors, a novel reinforcement self-learning ML algor… ▽ More Efficiently designing lightweight alloys with combined high corrosion resistance and mechanical properties remains an enduring topic in materials engineering. To this end, machine learning (ML) coupled ab-initio calculations is proposed within this study. Due to the inadequate accuracy of conventional stress-strain ML models caused by corrosion factors, a novel reinforcement self-learning ML algorithm (accuracy R2 >0.92) is developed. Then, a strategy that integrates ML models, calculated energetics and mechanical moduli is implemented to optimize the Al alloys. Next, this Computation Designed Corrosion-Resistant Al alloy is fabricated that verified the simulation. The performance (elongation reaches ~30%) is attributed to the H-captured Al-Sc-Cu phases (-1.44 eV H-1) and Cu-modified η/η' precipitation inside the grain boundaries (GBs). The developed Al-Mg-Zn-Cu interatomic potential (energy accuracy 6.50 meV atom-1) proves the cracking resistance of the GB region enhanced by Cu-modification. Conceptually, our strategy is of practical importance for designing new alloys exhibiting corrosion resistance and mechanical properties. △ Less

Submitted 26 December, 2023; originally announced December 2023.

Room-temperature correlated states in twisted bilayer MoS$_2$

Authors: Fanfan Wu, Qiaoling Xu, Qinqin Wang, Yanbang Chu, Lu Li, Jian Tang, Jieying Liu, Jinpeng Tian, Yiru Ji, Le Liu, Yalong Yuan, Zhiheng Huang, Jiaojiao Zhao, Xiaozhou Zan, Kenji Watanabe, Takashi Taniguchi, Dongxia Shi, Gangxu Gu, Yang Xu, Lede Xian, Wei Yang, Luojun Du, Guangyu Zhang

Abstract: Moiré superlattices have emerged as an exciting condensed-matter quantum simulator for exploring the exotic physics of strong electronic correlations. Notable progress has been witnessed, but such correlated states are achievable usually at low temperatures. Here, we report the transport evidences of room-temperature correlated electronic states and layer-hybridized SU(4) Hubbard model simulator i… ▽ More Moiré superlattices have emerged as an exciting condensed-matter quantum simulator for exploring the exotic physics of strong electronic correlations. Notable progress has been witnessed, but such correlated states are achievable usually at low temperatures. Here, we report the transport evidences of room-temperature correlated electronic states and layer-hybridized SU(4) Hubbard model simulator in AB-stacked MoS$_2$ homo-bilayer moiré superlattices. Correlated insulating states at moiré band filling factors v = 1, 2, 3 are unambiguously established in twisted bilayer MoS$_2$. Remarkably, the correlated electronic states can persist up to a record-high critical temperature of over 285 K. The realization of room-temperature correlated states in twisted bilayer MoS$_2$ can be understood as the cooperation effects of the stacking-specific atomic reconstruction and the resonantly enhanced interlayer hybridization, which largely amplify the moiré superlattice effects on electronic correlations. Furthermore, extreme large non-linear Hall responses up to room-temperature are uncovered near correlated insulating states, demonstrating the quantum geometry of moiré flat conduction band. △ Less

Submitted 28 November, 2023; originally announced November 2023.

Comments: 13 pages, 3 figures

Domain formation and universally critical dynamics through phase separation in two-component Bose-Einstein condensates

Authors: Yikai Ji, Xizhou Qin, Bin Liu, Yongyao Li, Bo Lu, Xunda Jiang, Chaohong Lee

Abstract: We explore the defect formation and universally critical dynamics in two-dimensional (2D) two-component Bose-Einstein condensates(BECs) subjected to two types of potential traps: a homogeneous trap and a harmonic trap.We focus on the non-equilibrium universal dynamics of the miscible-immiscible phase transition with both linear and nonlinear quenching types.Although there exists spatial independen… ▽ More We explore the defect formation and universally critical dynamics in two-dimensional (2D) two-component Bose-Einstein condensates(BECs) subjected to two types of potential traps: a homogeneous trap and a harmonic trap.We focus on the non-equilibrium universal dynamics of the miscible-immiscible phase transition with both linear and nonlinear quenching types.Although there exists spatial independence of the critical point, we find that the inhomogeneity of trap doesn't affect the phase transition of system and the critical exponents can still be explained by the homogeneous Kibble-Zurek mechanism. By analyzing the Bogoliubov excitations, we establish a power-law relationship between the domain correlation length, the phase transition delay, and the quench time.Furthermore, through real-time simulations of phase transition dynamics, the formation of domain defects and the delay of phase transition in non-equilibrium dynamics are demonstrated, along with the corresponding universal scaling of correlation length and phase transition delay for various quench time and quench coefficients, which align well with our analytical predictions.Our study confirms that the universality class of two-component BECs remains unaffected by dimensionality, while the larger nonlinear coefficients effectively suppress non-adiabatic excitations, offering a novel perspective for addressing adiabatic evolution. △ Less

Submitted 14 November, 2023; originally announced November 2023.

Comments: 9 pages, 8 figures

A U-Net-Based Self-Stitching Method for Generating Periodic Grain Structures

Authors: Ye Ji, Arnd Koeppe, Patrick Altschuh, Lars Griem, Deepalaxmi Rajagopal, Britta Nestler, Weijin Chen, Yi Zhang, Yue Zheng

Abstract: When modeling microstructures, the computational resource requirements increase rapidly as the simulation domain becomes larger. As a result, simulating a small representative fraction under periodic boundary conditions is often a necessary simplification. However, the truncated structures leave nonphysical boundaries, which are detrimental to numerical modeling. Here, we propose a self-stitching… ▽ More When modeling microstructures, the computational resource requirements increase rapidly as the simulation domain becomes larger. As a result, simulating a small representative fraction under periodic boundary conditions is often a necessary simplification. However, the truncated structures leave nonphysical boundaries, which are detrimental to numerical modeling. Here, we propose a self-stitching algorithm for generating periodic structures, demonstrated in a grain structure. The main idea of our algorithm is to artificially add structural information between mismatched boundary pairs, using the hierarchical spatial predictions of the U-Net. The algorithm provides an automatic and unbiased way to obtain periodic boundaries in grain structures and can be applied to porous microstructures in a similar way. △ Less

Submitted 31 October, 2023; originally announced October 2023.

The strongly driven Fermi polaron

Authors: Franklin J. Vivanco, Alexander Schuckert, Songtao Huang, Grant L. Schumacher, Gabriel G. T. Assumpção, Yunpeng Ji, Jianyi Chen, Michael Knap, Nir Navon

Abstract: Quasiparticles are emergent excitations of matter that underlie much of our understanding of quantum many-body systems. Therefore, the prospect of manipulating their properties with external fields -- or even destroying them -- has both fundamental and practical implications. However, in solid-state materials it is often challenging to understand how quasiparticles are modified by external fields… ▽ More Quasiparticles are emergent excitations of matter that underlie much of our understanding of quantum many-body systems. Therefore, the prospect of manipulating their properties with external fields -- or even destroying them -- has both fundamental and practical implications. However, in solid-state materials it is often challenging to understand how quasiparticles are modified by external fields owing to their complex interplay with other collective excitations, such as phonons. Here, we take advantage of the clean setting of homogeneous quantum gases and fast radio-frequency control to manipulate Fermi polarons -- quasiparticles formed by impurities interacting with a non-interacting Fermi gas -- from weak to ultrastrong drives. Exploiting two internal states of the impurity species, we develop a steady-state spectroscopy, from which we extract the energy of the driven polaron. We measure the decay rate and the quasiparticle residue of the driven polaron from the Rabi oscillations between the two internal states. At large drive strengths, the so-extracted quasiparticle residue exceeds unity, raising intriguing questions on the relationship between the Rabi oscillations and the impurity's spectral functions. Our experiment establishes the driven Fermi polaron as a promising platform for studying controllable quasiparticles in strongly driven quantum matter. △ Less

Submitted 10 August, 2023; originally announced August 2023.

Journal ref: Nat. Phys. 21, 564-569 (2025)

Tunable magnetism and electron correlation in Titanium-based Kagome metals RETi3Bi4 (RE = Yb, Pr, and Nd) by rare-earth engineering

Authors: Long Chen, Ying Zhou, He Zhang, Xuecong Ji, Ke Liao, Yu Ji, Ying Li, Zhongnan Guo, Xi Shen, Richeng Yu, Xiaohui Yu, Hongming Weng, Gang Wang

Abstract: Rare-earth engineering is an effective way to introduce and tune the magnetism in topological Kagome magnets, which has been acting as a fertile platform to investigate the quantum interactions between geometry, topology, spin, and correlation. Here we report the structure and properties of three newly discovered Titanium-based Kagome metals RETi3Bi4 (RE = Yb, Pr, and Nd) with various magnetic sta… ▽ More Rare-earth engineering is an effective way to introduce and tune the magnetism in topological Kagome magnets, which has been acting as a fertile platform to investigate the quantum interactions between geometry, topology, spin, and correlation. Here we report the structure and properties of three newly discovered Titanium-based Kagome metals RETi3Bi4 (RE = Yb, Pr, and Nd) with various magnetic states. They crystalize in the orthogonal space group Fmmm (No.69), where slightly distorted Ti Kagome lattice, RE triangular lattice, Bi honeycomb and triangular lattices stack along the a axis. By changing the rare earth atoms on RE zag-zig chains, the magnetism can be tuned from nonmagnetic YbTi3Bi4 to short-range ordered PrTi3Bi4 (Tanomaly ~ 8.2 K), and finally to ferromagnetic NdTi3Bi4 (Tc ~ 8.5 K). The measurements of resistivity and specific heat capacity demonstrate an evolution of electron correlation and density of states near the Fermi level with different rare earth atoms. In-situ resistance measurements of NdTi3Bi4 under high pressure further reveal a potential relationship between the electron correlation and ferromagnetic ordering temperature. These results highlight RETi3Bi4 as another family of topological Kagome magnets to explore nontrivial band topology and exotic phases in Kagome materials. △ Less

Submitted 6 July, 2023; originally announced July 2023.

Comments: Manuscript:17 pages, 5 figures; Supporting information:11 pages, 11 tables and 10 figures

Journal ref: Commun Mater 5, 73 (2024)

Observation of first-order quantum phase transitions and ferromagnetism in twisted double bilayer graphene

Authors: Le Liu, Xin Lu, Yanbang Chu, Guang Yang, Yalong Yuan, Fanfan Wu, Yiru Ji, Jinpeng Tian, Kenji Watanabe, Takashi Taniguchi, Luojun Du, Dongxia Shi, Jianpeng Liu, Jie Shen, Li Lu, Wei Yang, Guangyu Zhang

Abstract: Twisted graphene multilayers are highly tunable flatband systems for developing new phases of matter. Thus far, while orbital ferromagnetism has been observed in valley polarized phases, the long-range orders of other correlated phases as well as the quantum phase transitions between different orders mostly remain unknown. Here, we report an observation of Coulomb interaction driven first-order qu… ▽ More Twisted graphene multilayers are highly tunable flatband systems for developing new phases of matter. Thus far, while orbital ferromagnetism has been observed in valley polarized phases, the long-range orders of other correlated phases as well as the quantum phase transitions between different orders mostly remain unknown. Here, we report an observation of Coulomb interaction driven first-order quantum phase transitions and ferromagnetism in twisted double bilayer graphene (TDBG). At zero magnetic field, the transitions are revealed in a series of step-like abrupt resistance jumps with prominent hysteresis loop when either the displacement field (D) or the carrier density (n) is tuned across symmetry-breaking boundary near half filling, indicating a formation of ordered domains. It is worth noting that the good turnability and switching of these states gives a rise to a memory performance with a large on/off ratio. Moreover, when both spin and valley play the roles at finite magnetic field, we observe abundant first-order quantum phase transitions among normal metallic states from charge neutral point, orbital ferromagnetic states from quarter filling, and spin-polarized states from half filling. We interpret these first-order phase transitions in the picture of phase separations and spin domain percolations driven by multi-field tunable Coulomb interactions, in agreement with Lifshitz transition from Hartree-Fock calculations. The observed multi-filed tunable domain structure and its hysteresis resembles the characteristics of multiferroics, revealing intriguing magnetoelectric properties. Our result enriches the correlated phase diagram in TDBG for discovering novel exotic phases and quantum phase transitions, and it would benefit other twisted moiré systems as well. △ Less

Submitted 24 June, 2023; originally announced June 2023.

Journal ref: Phys. Rev. X 13, 031015 (2023)

Nonlinear phonon Hall effects in ferroelectrics: its existence and non-volatile electrical control

Authors: W. Luo, J. Y. Ji, P. Chen, Y. Xu, L. F. Zhang, H. J. Xiang, L. Bellaiche

Abstract: Nonlinear Hall effects have been previously investigated in non-centrosymmetric systems for electronic systems. However, they only exist in metallic systems and are not compatible with ferroelectrics since these latter are insulators, hence limiting their applications. On the other hand, ferroelectrics naturally break inversion symmetry and can induce a non-zero Berry curvature. Here, we show that… ▽ More Nonlinear Hall effects have been previously investigated in non-centrosymmetric systems for electronic systems. However, they only exist in metallic systems and are not compatible with ferroelectrics since these latter are insulators, hence limiting their applications. On the other hand, ferroelectrics naturally break inversion symmetry and can induce a non-zero Berry curvature. Here, we show that a non-volatile electric-field control of heat current can be realized in ferroelectrics through the nonlinear phonon Hall effects. More precisely, based on Boltzmann equation under the relaxation-time approximation, we derive the equation for nonlinear phonon Hall effects, and further show that the behaviors of nonlinear phonon (Boson) Hall effects are very different from nonlinear Hall effects for electrons (Fermion). Our work provides a route for electric-field control of thermal Hall current in ferroelectrics. △ Less

Submitted 13 June, 2023; originally announced June 2023.

Comments: 16 pages, 2 figures

Report number: https://journals.aps.org/prb/pdf/10.1103/PhysRevB.107.L241107

Journal ref: Letter in PRB (2023)

The emergence of global phase coherence from local pairing in underdoped cuprates

Authors: Shusen Ye, Changwei Zou, Hongtao Yan, Yu Ji, Miao Xu, Zehao Dong, Yiwen Chen, Xingjiang Zhou, Yayu Wang

Abstract: In conventional metal superconductors such as aluminum, the large number of weakly bounded Cooper pairs become phase coherent as soon as they start to form. The cuprate high critical temperature ($T_c$) superconductors, in contrast, belong to a distinctively different category. To account for the high $T_c$, the attractive pairing interaction is expected to be strong and the coherence length is sh… ▽ More In conventional metal superconductors such as aluminum, the large number of weakly bounded Cooper pairs become phase coherent as soon as they start to form. The cuprate high critical temperature ($T_c$) superconductors, in contrast, belong to a distinctively different category. To account for the high $T_c$, the attractive pairing interaction is expected to be strong and the coherence length is short. Being doped Mott insulators, the cuprates are known to have low superfluid density, thus are susceptible to phase fluctuations. It has been proposed that pairing and phase coherence may occur separately in cuprates, and $T_c$ corresponds to the phase coherence temperature controlled by the superfluid density. To elucidate the microscopic processes of pairing and phase ordering in cuprates, here we use scanning tunneling microscopy to image the evolution of electronic states in underdoped $\rm Bi_2La_xSr_{2-x}CuO_{6+δ}$. Even in the insulating sample, we observe a smooth crossover from the Mott insulator to superconductor-type spectra on small islands with chequerboard order and emerging quasiparticle interference patterns following the octet model. Each chequerboard plaquette contains approximately two holes, and exhibits a stripy internal structure that has strong influence on the superconducting features. Across the insulator to superconductor boundary, the local spectra remain qualitatively the same while the quasiparticle interferences become long-ranged. These results suggest that the chequerboard plaquette with internal stripes plays a crucial role on local pairing in cuprates, and the global phase coherence is established once its spatial occupation exceeds a threshold. △ Less

Submitted 9 June, 2023; originally announced June 2023.

Observation of the Fermionic Joule-Thomson Effect

Authors: Yunpeng Ji, Jianyi Chen, Grant L. Schumacher, Gabriel G. T. Assumpção, Songtao Huang, Franklin J. Vivanco, Nir Navon

Abstract: We report the observation of the quantum Joule-Thomson (JT) effect in ideal and unitary Fermi gases. We study the temperature dynamics of these systems while they undergo an energy-per-particle conserving rarefaction. For scale-invariant systems, whose equations of state satisfy the relation $U\propto PV$, this rarefaction conserves the specific enthalpy, which makes it thermodynamically equivalen… ▽ More We report the observation of the quantum Joule-Thomson (JT) effect in ideal and unitary Fermi gases. We study the temperature dynamics of these systems while they undergo an energy-per-particle conserving rarefaction. For scale-invariant systems, whose equations of state satisfy the relation $U\propto PV$, this rarefaction conserves the specific enthalpy, which makes it thermodynamically equivalent to a JT throttling process. We observe JT heating in an ideal Fermi gas, stronger at higher quantum degeneracy, a result of the repulsive quantum-statistical `force' arising from Pauli blocking. In a unitary Fermi gas, we observe that the JT heating is marginal in the temperature range $0.2 \lesssim T/T_{\mathrm{F}} \lesssim 0.8 $ as the repulsive quantum-statistical effect is lessened by the attractive interparticle interaction. △ Less

Submitted 25 May, 2023; originally announced May 2023.

Comments: 13 pages, 12 figures

Journal ref: Phys. Rev. Lett. 132 (2024) 153402

PYATB: An Efficient Python Package for Electronic Structure Calculations Using Ab Initio Tight-Binding Model

Authors: Gan Jin, ongsheng Pang, Yuyang Ji, Zujian Dai, Lixin He

Abstract: We present PYATB, a Python package designed for computing band structures and related properties of materials using the ab initio tight-binding Hamiltonian. The Hamiltonian is directly obtained after conducting self-consistent calculations with first-principles packages using numerical atomic orbital (NAO) bases, such as ABACUS. The package comprises three modules: Bands, Geometric, and Optical. I… ▽ More We present PYATB, a Python package designed for computing band structures and related properties of materials using the ab initio tight-binding Hamiltonian. The Hamiltonian is directly obtained after conducting self-consistent calculations with first-principles packages using numerical atomic orbital (NAO) bases, such as ABACUS. The package comprises three modules: Bands, Geometric, and Optical. In the Bands module, one can calculate essential properties of band structures, including the partial density of states (PDOS), fat bands, Fermi surfaces, and Weyl/Dirac points. The band unfolding method is utilized to obtain the energy band spectra of a supercell by projecting the electronic structure of the supercell onto the Brillouin zone of the primitive cell. With the Geometric module, one can compute the Berry phase and Berry curvature-related quantities, such as electric polarization, Wilson loops, Chern numbers, and anomalous Hall conductivities. The Optical module offers a range of optical property calculations, including optical conductivity and nonlinear optical responses, such as shift current and Berry curvature dipole. △ Less

Submitted 31 March, 2023; originally announced March 2023.

Universality in nonlinear passage through the miscible-immiscible phase transition in two component Bose-Einstein condensates

Authors: Xunda Jiang, Yikai Ji, Bin Liu, Feng Li, Xizhou Qin, Yongyao Li, Chaohong Lee

Abstract: In this study, we investigate the formation of domain defects and the universal critical real-time dynamics in a two-component Bose-Einstein condensate with nonlinear quenching across the miscible-immiscible phase transition. By analyzing the Bogoliubov excitations, we obtain the power-law relations among the defect density, the phase transition delay and the quench time near the phase transition.… ▽ More In this study, we investigate the formation of domain defects and the universal critical real-time dynamics in a two-component Bose-Einstein condensate with nonlinear quenching across the miscible-immiscible phase transition. By analyzing the Bogoliubov excitations, we obtain the power-law relations among the defect density, the phase transition delay and the quench time near the phase transition. Moreover, by simulating the real-time dynamics across the miscible-immiscible phase transition, we clearly show the formation of domain defects and the delay of the phase transition. Furthermore, we find that the domain defects are suppressed by large nonlinear coefficients and long quench times. To accurately characterize the domain defects, we quantify the defect excitations using the correlation length and the domain number. In addition, by combining the power-law relations between the phase transition delay and the quench time, we extract the critical exponents for different nonlinear coefficients. Our study not only confirms that the critical exponents do not sensitively depend on the nonlinear quenches but also provides a dynamic path toward the suppression of nonadiabatic excitation. △ Less

Submitted 23 January, 2023; originally announced January 2023.

Comments: 7 pages, 6 figures

Observation of Anomalous Decay of a Polarized Three-Component Fermi Gas

Authors: Grant L. Schumacher, Jere T. Mäkinen, Yunpeng Ji, Gabriel G. T. Assumpção, Jianyi Chen, Songtao Huang, Franklin J. Vivanco, Nir Navon

Abstract: Systems of fermions with multiple internal states, such as quarks in quantum chromodynamics and nucleons in nuclear matter, are at the heart of some of the most complex quantum many-body problems. The stability of such many-body multi-component systems is crucial to understanding, for instance, baryon formation and the structure of nuclei, but these fermionic problems are typically very challengin… ▽ More Systems of fermions with multiple internal states, such as quarks in quantum chromodynamics and nucleons in nuclear matter, are at the heart of some of the most complex quantum many-body problems. The stability of such many-body multi-component systems is crucial to understanding, for instance, baryon formation and the structure of nuclei, but these fermionic problems are typically very challenging to tackle theoretically. Versatile experimental platforms on which to study analogous problems are thus sought after. Here, we report the creation of a uniform gas of three-component fermions. We characterize the decay of this system across a range of interaction strengths and observe nontrivial competition between two- and three-body loss processes. We observe anomalous decay of the polarized (i.e. spin-population imbalanced) gas, in which the loss rates of each component unexpectedly differ. We introduce a generalized three-body rate equation which captures the decay dynamics, but the underlying microscopic mechanism is unknown. △ Less

Submitted 5 January, 2023; originally announced January 2023.

Comments: Main Text: 6 pages, 4 figures, 56 references. Supplementary Material: 8 pages, 8 figures, 8 references

Acoustic-Driven Magnetic Skyrmion Motion

Authors: Yang Yang, Le Zhao, Di Yi, Teng Xu, Yahong Chai, Chenye Zhang, Dingsong Jiang, Yahui Ji, Wanjun Jiang, Jianshi Tang, Pu Yu, Huaqiang Wu, Tianxiang Nan

Abstract: Magnetic skyrmions have great potential for developing novel spintronic devices. The electrical manipulation of skyrmions has mainly relied on current-induced spin-orbit torques. A recent theoretical model suggested that the skyrmions could be more efficiently manipulated by surface acoustic waves (SAW), an elastic wave that can couple with magnetic moment through magnetoelastic effect. However, t… ▽ More Magnetic skyrmions have great potential for developing novel spintronic devices. The electrical manipulation of skyrmions has mainly relied on current-induced spin-orbit torques. A recent theoretical model suggested that the skyrmions could be more efficiently manipulated by surface acoustic waves (SAW), an elastic wave that can couple with magnetic moment through magnetoelastic effect. However, the directional motion of skyrmions that is driven by SAW is still missing. Here, we experimentally demonstrate the motion of Néel-type skyrmions in Ta/CoFeB/MgO/Ta multilayers driven by propagating SAW pulses from on-chip piezoelectric transducers. Our results reveal that the elastic wave with longitudinal and shear vertical displacements (Rayleigh wave) traps skyrmions, while the shear horizontal wave effectively drives the motion of skyrmions. In particular, a longitudinal motion along the SAW propagation direction and a transverse motion due to topological charge, are observed and further confirmed by our micromagnetic simulations. This work demonstrates a promising approach based on acoustic waves for manipulating skyrmions, which could offer new opportunities for ultra-low power spintronics. △ Less

Submitted 7 December, 2022; originally announced December 2022.

Reproducibility of Hybrid Density Functional Calculations for Equation-of-State Properties and Band Gaps

Authors: Yuyang Ji, Peize Lin, Xinguo Ren, Lixin He

Abstract: Hybrid density functional (HDF) approximations usually deliver higher accuracy than local and semilocal approximations to the exchange-correlation functional, but this comes with drastically increased computational cost. Practical implementations of HDFs inevitably involve numerical approximations -- even more so than their local and semilocal counterparts due to the additional numerical complexit… ▽ More Hybrid density functional (HDF) approximations usually deliver higher accuracy than local and semilocal approximations to the exchange-correlation functional, but this comes with drastically increased computational cost. Practical implementations of HDFs inevitably involve numerical approximations -- even more so than their local and semilocal counterparts due to the additional numerical complexity arising from treating the exact-exchange component. This raises the question regarding the reproducibility of the HDF results yielded by different implementations. In this work, we benchmark the numerical precision of four independent implementations of the popular Heyd-Scuseria-Ernzerhof (HSE) range-separated HDF on describing key materials' properties, including both properties derived from equations of states (EOS) and band gaps of 20 crystalline solids. We find that the energy band gaps obtained by the four codes agree with each other rather satisfactorily. However, for lattice constants and bulk moduli, the deviations between the results computed by different codes are of the same order of magnitude as the deviations between the computational and experimental results. On the one hand, this means that the HSE functional is rather accurate for describing the cohesive properties of simple insulating solids. On the other hand, this also suggests that the numerical precision achieved with current major HSE implementation is not sufficiently high to unambiguously assess the physical accuracy of HDFs. It is found that the pseudopotential treatment of the core electrons is a major factor that contributes to this uncertainty. △ Less

Submitted 29 August, 2022; originally announced August 2022.

Comments: 25 pages, 4 figures, 1 table

Valorizing the carbon byproduct of methane pyrolysis in batteries

Authors: Yuefan Ji, Clarke Palmer, Emily E. Foley, Raynald Giovine, Eric Yoshida, Eric McFarland, Raphaële J. Clément

Abstract: While low-cost natural gas remains abundant, the energy content of this fuel can be utilized without greenhouse gas emissions through the production of molecular hydrogen and solid carbon via methane pyrolysis. In the absence of a carbon tax, methane pyrolysis is not economically competitive with current hydrogen production methods unless the carbon byproducts can be valorized. In this work, we as… ▽ More While low-cost natural gas remains abundant, the energy content of this fuel can be utilized without greenhouse gas emissions through the production of molecular hydrogen and solid carbon via methane pyrolysis. In the absence of a carbon tax, methane pyrolysis is not economically competitive with current hydrogen production methods unless the carbon byproducts can be valorized. In this work, we assess the viability of the carbon byproduct produced from methane pyrolysis in molten salts as high-value-added anode or conductive additive for secondary Li-ion and Na-ion batteries. Raman characterization and electrochemical differential capacity analysis demonstrate that the use of molten salt mixtures with catalytically-active FeCl3- or MnCl2 result in more graphitic carbon co-products. These graphitic carbons exhibit the best electrochemical performance (up to 272 mAh/g of reversible capacity) when used as Li-ion anodes. For all carbon samples studied here, disordered carbon domains and retained salt species trapped and/or intercalated into the carbon structure were identified by X-ray photoelectron and multinuclear solid-state nuclear magnetic resonance spectroscopy. The latter lead to reduced electrochemical activity and reversibility, and poorer rate performance compared to commercial carbon anodes. The electronic conductivity of the pyrolyzed carbons is found to be highly dependent on their purity, with the purest carbon exhibiting an electronic conductivity nearly on par with that of commercial carbon additives. These findings suggest that more effective removal of the salt catalyst could enable applications of these carbons in secondary batteries, providing a financial incentive for the large-scale implementation of methane pyrolysis for low-carbon hydrogen production. △ Less

Submitted 14 August, 2022; originally announced August 2022.

Importance of exact exchange to the geometric and electronic structures of Cs$_2$$B$$B'$$X_6$ double perovskites

Authors: Yuyang Ji, Peize Lin, Xinguo Ren, Lixin He

Abstract: We investigate the lead-free halide double perovskites (HDPs) Cs$ _2BB'X_6$ ($B$=Ag, Na; $B'$=In, Bi; $X$=Cl, Br) via first-principles calculations. We find that both the geometric and electric structures of the HDPs obtained by the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional are much better than those of the Perdew-Burke-Ernzerhof (PBE) functional. Importantly, we find that the electronic str… ▽ More We investigate the lead-free halide double perovskites (HDPs) Cs$ _2BB'X_6$ ($B$=Ag, Na; $B'$=In, Bi; $X$=Cl, Br) via first-principles calculations. We find that both the geometric and electric structures of the HDPs obtained by the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional are much better than those of the Perdew-Burke-Ernzerhof (PBE) functional. Importantly, we find that the electronic structures of DHPs are very sensitive to their geometries, especially the $B$-$X$ bond lengths. As a consequence, the electronic structures calculated by the HSE functional using the PBE optimized geometries may still significantly underestimate the band gaps, whereas the calculations on the HSE optimized geometries provide much more satisfactory results. The sensitivity of the band gaps of the DHPs to their geometries opens a promising path for the band structure engineering via doping and alloying. This work therefore provides an useful guideline for further improvement of HDPs materials. △ Less

Submitted 4 August, 2022; originally announced August 2022.

Wafer-scale epitaxial growth of the thickness-controllable van der Waals ferromagnet CrTe2 for reliable magnetic memory applications

Authors: Xinqi Liu, Yunyouyou Xia, Lei Gao, Puyang Huang, Liyang Liao, Baoshan Cui, Dirk Backes, Gerrit van der Laan, Thorsten Hesjedal, Yuchen Ji, Peng Chen, Fan Wu, Meixiao Wang, Junwei Zhang, Guoqiang Yu, Cheng Song, Yulin Chen, Zhongkai Liu, Yumeng Yang, Yong Peng, Gang Li, Qi Yao, Xufeng Kou

Abstract: To harness the intriguing properties of two-dimensional van der Waals (vdW) ferromagnets (FMs) for versatile applications, the key challenge lies in the reliable material synthesis for scalable device production. Here, we demonstrate the epitaxial growth of single-crystalline 1T-CrTe2 thin films on 2-inch sapphire substrates. Benefiting from the uniform surface energy of the dangling bond-free Al2… ▽ More To harness the intriguing properties of two-dimensional van der Waals (vdW) ferromagnets (FMs) for versatile applications, the key challenge lies in the reliable material synthesis for scalable device production. Here, we demonstrate the epitaxial growth of single-crystalline 1T-CrTe2 thin films on 2-inch sapphire substrates. Benefiting from the uniform surface energy of the dangling bond-free Al2O3(0001) surface, the layer-by-layer vdW growth mode is observed right from the initial growth stage, which warrants precise control of the sample thickness and atomically smooth surface morphology across the entire wafer. Moreover, the presence of the Coulomb interaction at the CrTe2/Al2O3 interface serves as an effective tuning parameter to tailor the anomalous Hall response, and the structural optimization of the CrTe2-based spin-orbit torque device leads to a substantial switching power reduction by 54%. Our results may lay out a general framework for the design of energy-efficient spintronics based on configurable vdW FMs. △ Less

Submitted 12 July, 2022; originally announced July 2022.

Comments: 20 pages, 4 figures

Magnon-phonon interaction induced electromagnetic wave radiation in the strong coupling region

Authors: Yahui Ji, Chenye Zhang, Tianxiang Nan

Abstract: We theoretically study the electromagnetic wave radiation of magnons driven by acoustic phonons in systems with strong magnon-phonon interaction. We evaluate the field dependence of radiation intensity spectra which exhibits the avoided crossing, a characteristic of strongly coupled systems. At the crossover where the magnon and phonon eigenstates are hybridized, we demonstrate the existence of tw… ▽ More We theoretically study the electromagnetic wave radiation of magnons driven by acoustic phonons in systems with strong magnon-phonon interaction. We evaluate the field dependence of radiation intensity spectra which exhibits the avoided crossing, a characteristic of strongly coupled systems. At the crossover where the magnon and phonon eigenstates are hybridized, we demonstrate the existence of two resonant radiation frequencies with circular polarization and the enhancement of antenna radiation efficiency by over 100 times. Our results open up possibilities of developing ultra-compact antennas by using the hybridized magnon-phonon mode. △ Less

Submitted 9 June, 2022; originally announced June 2022.

Quantum oscillations in field-induced correlated insulators of a moiré superlattice

Authors: Le Liu, Yanbang Chu, Guang Yang, Yalong Yuan, Fanfan Wu, Yiru Ji, Jinpeng Tian, Rong Yang, Kenji Watanabe, Takashi Taniguchi, Gen Long, Dongxia Shi, Jianpeng Liu, Jie Shen, Li Lu, Wei Yang, Guangyu Zhang

Abstract: We report an observation of quantum oscillations (QOs) in the correlated insulators with valley anisotropy of twisted double bilayer graphene (TDBG). The anomalous QOs are best captured in the magneto resistivity oscillations of the insulators at v = -2, with a period of 1/B and an oscillation amplitude as high as 150 kΩ. The QOs can survive up to ~10 K, and above 12 K, the insulating behaviors ar… ▽ More We report an observation of quantum oscillations (QOs) in the correlated insulators with valley anisotropy of twisted double bilayer graphene (TDBG). The anomalous QOs are best captured in the magneto resistivity oscillations of the insulators at v = -2, with a period of 1/B and an oscillation amplitude as high as 150 kΩ. The QOs can survive up to ~10 K, and above 12 K, the insulating behaviors are dominant. The QOs of the insulator are strongly D dependent: the carrier density extracted from the 1/B periodicity decreases almost linearly with D from -0.7 to -1.1 V/nm, suggesting a reduced Fermi surface; the effective mass from Lifshitz-Kosevich analysis depends nonlinearly on D, reaching a minimal value of 0.1 me at D = ~ -1.0 V/nm. Similar observations of QOs are also found at v = 2, as well as in other devices without graphite gate. We interpret the D sensitive QOs of the correlated insulators in the picture of band inversion. By reconstructing an inverted band model with the measured effective mass and Fermi surface, the density of state at the gap, calculated from thermal broadened Landau levels, agrees qualitatively with the observed QOs in the insulators. While more theoretical understandings are needed in the future to fully account for the anomalous QOs in this moiré system, our study suggests that TDBG is an excellent platform to discover exotic phases where correlation and topology are at play. △ Less

Submitted 14 May, 2023; v1 submitted 20 May, 2022; originally announced May 2022.

Evidence for charge and spin order in single crystals of La$_3$Ni$_2$O$_7$ and La$_3$Ni$_2$O$_6$

Authors: Zengjia Liu, Hualei Sun, Mengwu Huo, Xiaoyan Ma, Yi Ji, Enkui Yi, Lisi Li, Hui Liu, Jia Yu, Ziyou Zhang, Zhiqiang Chen, Feixiang Liang, Hongliang Dong, Hanjie Guo, Dingyong Zhong, Bing Shen, Shiliang Li, Meng Wang

Abstract: Charge and spin order is intimately related to superconductivity in copper oxide superconductors. To elucidate the competing orders in various nickel oxide compounds are crucial given the fact that superconductivity has been discovered in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ films. Herein, we report structural, electronic transport, magnetic, and thermodynamic characterizations on single crystals of La… ▽ More Charge and spin order is intimately related to superconductivity in copper oxide superconductors. To elucidate the competing orders in various nickel oxide compounds are crucial given the fact that superconductivity has been discovered in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ films. Herein, we report structural, electronic transport, magnetic, and thermodynamic characterizations on single crystals of La$_3$Ni$_2$O$_7$ and La$_3$Ni$_2$O$_6$. La$_3$Ni$_2$O$_7$ is metallic with mixed Ni$^{2+}$ and Ni$^{3+}$ valent states. Resistivity measurements yield two transition-like kinks at $\sim$110 and 153 K, respectively. The kink at 153 K is further revealed from magnetization and specific heat measurements, indicative of the formation of charge and spin order. La$_3$Ni$_2$O$_6$ single crystals obtained from topochemical reduction of La$_3$Ni$_2$O$_7$ are insulating and show an anomaly at $\sim$176 K on magnetic susceptibility. The transition-like behaviors of La$_3$Ni$_2$O$_7$ and La$_3$Ni$_2$O$_6$ are analogous to the charge and spin order observed in La$_4$Ni$_3$O$_{10}$ and La$_4$Ni$_3$O$_8$, suggesting charge and spin order is a common feature in the ternary La-Ni-O system with mixed-valent states of nickel. △ Less

Submitted 2 May, 2022; originally announced May 2022.

Comments: 7 pages, 4 figures, 2 tables

Journal ref: Sci. China-Phys. Mech. Astron. 66, 217411(2023)

Multiplication of freestanding semiconductor membranes from a single wafer by advanced remote epitaxy

Authors: Hyunseok Kim, Yunpeng Liu, Kuangye Lu, Celesta S. Chang, Kuan Qiao, Ki Seok Kim, Bo-In Park, Junseok Jeong, Menglin Zhu, Jun Min Suh, Yongmin Baek, You Jin Ji, Sungsu Kang, Sangho Lee, Ne Myo Han, Chansoo Kim, Chanyeol Choi, Xinyuan Zhang, Haozhe Wang, Lingping Kong, Jungwon Park, Kyusang Lee, Geun Young Yeom, Sungkyu Kim, Jinwoo Hwang , et al. (4 additional authors not shown)

Abstract: Freestanding single-crystalline membranes are an important building block for functional electronics. Especially, compounds semiconductor membranes such as III-N and III-V offer great opportunities for optoelectronics, high-power electronics, and high-speed computing. Despite huge efforts to produce such membranes by detaching epitaxial layers from donor wafers, however, it is still challenging to… ▽ More Freestanding single-crystalline membranes are an important building block for functional electronics. Especially, compounds semiconductor membranes such as III-N and III-V offer great opportunities for optoelectronics, high-power electronics, and high-speed computing. Despite huge efforts to produce such membranes by detaching epitaxial layers from donor wafers, however, it is still challenging to harvest epitaxial layers using practical processes. Here, we demonstrate a method to grow and harvest multiple epitaxial membranes with extremely high throughput at the wafer scale. For this, 2D materials are directly formed on III-N and III-V substrates in epitaxy systems, which enables an advanced remote epitaxy scheme comprised of multiple alternating layers of 2D materials and epitaxial layers that can be formed by a single epitaxy run. Each epilayer in the multi-stack structure is then harvested by layer-by-layer peeling, producing multiple freestanding membranes with unprecedented throughput from a single wafer. Because 2D materials allow peeling at the interface without damaging the epilayer or the substrate, wafers can be reused for subsequent membrane production. Therefore, this work represents a meaningful step toward high-throughput and low-cost production of single-crystal membranes that can be heterointegrated. △ Less

Submitted 7 April, 2022; originally announced April 2022.

On the Stability of the Repulsive Fermi Gas with Contact Interactions

Authors: Yunpeng Ji, Grant L. Schumacher, Gabriel G. T. Assumpção, Jianyi Chen, Jere Mäkinen, Franklin J. Vivanco, Nir Navon

Abstract: We report the creation and the study of the stability of a repulsive quasi-homogeneous spin-$1/2$ Fermi gas with contact interactions. For the range of scattering lengths $a$ explored, the dominant mechanism of decay is a universal three-body recombination towards a Feshbach bound state. We observe that the recombination coefficient $K_3\propto ε_\text{kin} a^6$, where the first factor, the averag… ▽ More We report the creation and the study of the stability of a repulsive quasi-homogeneous spin-$1/2$ Fermi gas with contact interactions. For the range of scattering lengths $a$ explored, the dominant mechanism of decay is a universal three-body recombination towards a Feshbach bound state. We observe that the recombination coefficient $K_3\propto ε_\text{kin} a^6$, where the first factor, the average kinetic energy per particle $ε_\text{kin}$, arises from a three-body threshold law, and the second one from the universality of recombination. Both scaling laws are consequences of Pauli blocking effects in three-body collisions involving two identical fermions. As a result of the interplay between Fermi statistics and the momentum dependence of the recombination process, the system exhibits non-trivial temperature dynamics during recombination, alternatively heating or cooling depending on its initial quantum degeneracy. The measurement of $K_3$ provides an upper bound for the interaction strength achievable in equilibrium for a uniform repulsive Fermi gas. △ Less

Submitted 7 April, 2022; originally announced April 2022.

Journal ref: Phys. Rev. Lett. 129 (2022) 203402

Room Temperature Gate Tunable Non Reciprocal Charge Transport in Lattice Matched InSb/CdTe Heterostructures

Authors: Lun Li, Yuyang Wu, Xiaoyang Liu, Hanzhi Ruan, Zhenghang Zhi, Jiuming Liu, Yong Zhang, Puyang Huang, Yuchen Ji, Chenjia Tang, Yumeng Yang, Renchao Che, Xufeng Kou

Abstract: The manipulation of symmetry provides an effective way to tailor the physical orders in solid-state systems. With the breaking of both the inversion and time-reversal symmetries, non-reciprocal magneto-transport may emerge in assorted non-magnetic systems to enrich spintronic physics. Here, we report the observation of the uni-directional magneto-resistance (UMR) in the lattice-matched InSb/CdTe f… ▽ More The manipulation of symmetry provides an effective way to tailor the physical orders in solid-state systems. With the breaking of both the inversion and time-reversal symmetries, non-reciprocal magneto-transport may emerge in assorted non-magnetic systems to enrich spintronic physics. Here, we report the observation of the uni-directional magneto-resistance (UMR) in the lattice-matched InSb/CdTe film up to room temperature. Benefiting from the strong built-in electric field of $0.13 \mathrm{~V} \cdot \mathrm{nm}^{-1}$ in the hetero-junction region, the resulting Rashba-type spin-orbit coupling and quantum confinement warrant stable angular-dependent second-order charge current with the non-reciprocal coefficient 1-2 orders of magnitude larger than most non-centrosymmetric materials at 298 K. More importantly, this heterostructure configuration enables highly-efficient gate tuning of the rectification response in which the enhancement of the UMR amplitude by 40% is realized. Our results advocate the narrow-gap semiconductor-based hybrid system with the robust two-dimensional interfacial spin texture as a suitable platform for the pursuit of controllable chiral spin-orbit devices and applications. △ Less

Submitted 1 April, 2022; v1 submitted 31 March, 2022; originally announced March 2022.

Observation of nonlinear planar Hall effect in magnetic insulator/topological insulator heterostructures

Authors: Yang Wang, Sivakumar V. Mambakkam, Yue-Xin Huang, Yong Wang, Yi Ji, Cong Xiao, Shengyuan A. Yang, Stephanie A. Law, John Q. Xiao

Abstract: Interfacing topological insulators (TIs) with magnetic insulators (MIs) has been widely used to study the interaction between topological surface states and magnetism. Previous transport studies typically interpret the suppression of weak antilocalization or appearance of the anomalous Hall effect as signatures of magnetic proximity effect (MPE) imposed to TIs. Here, we report the observation of n… ▽ More Interfacing topological insulators (TIs) with magnetic insulators (MIs) has been widely used to study the interaction between topological surface states and magnetism. Previous transport studies typically interpret the suppression of weak antilocalization or appearance of the anomalous Hall effect as signatures of magnetic proximity effect (MPE) imposed to TIs. Here, we report the observation of nonlinear planar Hall effect (NPHE) in Bi2Se3 films grown on MI thulium and yttrium iron garnet (TmIG and YIG) substrates, which is an order of magnitude larger than that in Bi2Se3 grown on nonmagnetic gadolinium gallium garnet (GGG) substrate. The nonlinear Hall resistance in TmIG/Bi2Se3 depends linearly on the external magnetic field, while that in YIG/Bi2Se3 exhibits an extra hysteresis loop around zero field. The magnitude of the NPHE is found to scale inversely with carrier density. We speculate the observed NPHE is related to the MPE-induced exchange gap opening and out-of-plane spin textures in the TI surface states, which may be used as an alternative transport signature of the MPE in MI/TI heterostructures. △ Less

Submitted 15 September, 2022; v1 submitted 11 March, 2022; originally announced March 2022.

Electron-Electron Interaction and Weak Antilocalization Effect in a Transition Metal Dichalcogenide Superconductor

Authors: Chushan Li, Mebrouka Boubeche, Lingyong Zeng, Yi Ji, Qixuan Li, Donghui Guo, Qizhong Zhu, Dingyong Zhong, Huixia Luo, Huichao Wang

Abstract: In disordered transition-metal dichalcogenide (TMD) superconductor, both the strong spin-orbit coupling (SOC) and disorder show remarkable effects on superconductivity. However, the features of SOC and disorder were rarely detected directly. Here we report the quantum transport behaviors arising from the interplay of SOC and disorder in the TMD superconductor 1T-NbSeTe. Before entering the superco… ▽ More In disordered transition-metal dichalcogenide (TMD) superconductor, both the strong spin-orbit coupling (SOC) and disorder show remarkable effects on superconductivity. However, the features of SOC and disorder were rarely detected directly. Here we report the quantum transport behaviors arising from the interplay of SOC and disorder in the TMD superconductor 1T-NbSeTe. Before entering the superconducting state, the single crystal at low temperature shows a resistivity upturn, which is T1/2 dependent and insensitive to the applied magnetic fields. The magnetoresistance (MR) at low temperatures shows a H1/2 dependence at high magnetic fields. The characteristics are in good agreement with the electron-electron interaction (EEI) in a disordered conductor. In addition, the upturn changes and MR at low magnetic fields suggest the contribution of weak antilocalization (WAL) effect arising from the strong SOC in the material. Moreover, the quantitative analyses of the transport features in different samples imply anomalous disorder-enhanced superconductivity that needs to be further understood. The results reveal the disorder enhanced EEI and the strong SOC induced WAL effect in 1T-NbSeTe, which illustrate the resistivity minimum in the widely studied doped superconductors. The work also provides insights into the disorder effect on the superconductivity. △ Less

Submitted 9 February, 2022; originally announced February 2022.