Showing 1–50 of 173 results for author: Cheng, Y

Impedance-matched High-Overtone Thickness-Shear Bulk Acoustic Resonators with Scalable Mode Volume

Authors: Zi-Dong Zhang, Zhen-Hui Qin, Yi-Han He, Yun-Fei Cheng, Hao Yan, Si-Yuan Yu, Ming-Hui Lu, Yan-Feng Chen

Abstract: High overtone bulk acoustic resonators are essential components in microwave signal processing and emerging quantum technologies; however, conventional designs suffer from limited impedance matching, spurious mode interference, and restricted scalability. Here we introduce a laterally excited high overtone thickness shear bulk acoustic resonator, abbreviated as X HTBAR, that overcomes these limita… ▽ More High overtone bulk acoustic resonators are essential components in microwave signal processing and emerging quantum technologies; however, conventional designs suffer from limited impedance matching, spurious mode interference, and restricted scalability. Here we introduce a laterally excited high overtone thickness shear bulk acoustic resonator, abbreviated as X HTBAR, that overcomes these limitations through a fully planar excitation scheme. The X HTBAR employs a 3 micron thick 128 degree Y cut LiNbO3 piezoelectric film on a 500 micron high resistivity silicon substrate, enabling efficient excitation of thickness shear modes through lateral electrodes without the need for bottom electrodes and confining the acoustic field between the top electrodes. This configuration removes parasitic loss channels, increases energy transfer efficiency to greater than ninety nine percent, and provides a stable free spectral range of about 5.75 MHz with very small fluctuations. Experimental measurements show comb like phonon spectra spanning 0.1 to 1.8 GHz, high quality factors in the range of ten to the power of three to ten to the power of five, frequency quality products larger than ten to the power of thirteen at room temperature, and a low temperature coefficient of frequency. In addition, a gridded electrode design together with the intrinsic properties of 128 degree Y cut LiNbO3, including insensitivity to electrode spacing and a large electromechanical coupling coefficient, suppresses spurious modes and allows tunable mode volumes from 0.008 to 0.064 cubic millimeters. These combined features give X HTBAR devices excellent integration compatibility and strong immunity to electrode related perturbations, making them promising multimode phonon sources for large scale quantum interconnects and microwave photonic integrated circuits. △ Less

Submitted 24 November, 2025; originally announced November 2025.

Density-driven scattering and valley splitting in undoped Si/SiGe two-dimensional electron system

Authors: Lucky Donald Lyngdoh Kynshi, Umang Soni, Chithra H Sharma, Yu Cheng, Kristian Deneke, Robert Zierold, Shengqiang Zhou, Robert H Blick, Anil Shaji, Madhu Thalakulam

Abstract: Undoped Si-SiGe two-dimensional electron gas (2DEG) provide an ideal platform for hosting quantum-dot spin-qubits owing enhanced spin dephasing times and compatibility with standard CMOS technology. The strained Si quantum well reduces the valley degeneracy into two closely spaced ones. The existence of a near-degenerate valley state act as a leakage channel and compromises gate fidelity. A robust… ▽ More Undoped Si-SiGe two-dimensional electron gas (2DEG) provide an ideal platform for hosting quantum-dot spin-qubits owing enhanced spin dephasing times and compatibility with standard CMOS technology. The strained Si quantum well reduces the valley degeneracy into two closely spaced ones. The existence of a near-degenerate valley state act as a leakage channel and compromises gate fidelity. A robust and uniform valley splitting across the entire chip is crucial for achieving scalability in the architecture and reliability in operation. Imperfections such as broadened interfaces, alloy disorders and atomic steps significantly compromise the valley splitting. The associated scattering mechanisms play detrimental roles in the performance of the qubits. In this manuscript, exploiting low-temperature magnetotransport measurements, we investigate the scattering mechanisms and valley splitting in a high-mobility undoped Si-SiGe 2DEG. At lower carrier densities, transport is limited by remote impurity scattering, whereas at higher densities, background impurity scattering near the quantum well dominates. Both the transport and quantum lifetimes of the charge carriers increase with carrier concentration, due to the enhancement in the impurity screening. Magnetic-field-induced confinement effect also is found to improve the valley splitting. Current-biasing measurements reveals the role of carrier heating in the visibility of valley splitting and reveal a temperature limited valley splitting of approximately 100 micro-eV. These results provide critical insight into scattering-dominated regimes and valley splitting in undoped Si-SiGe, advancing its potential for silicon-based quantum devices. △ Less

Submitted 28 October, 2025; originally announced October 2025.

Comments: 22 pages

Magnetic dynamics in NiTiO3 honeycomb antiferromagnet using neutron scattering

Authors: Srimal Rathnayaka, Luke Daemen, Tao Hong, Songxue Chi, Stuart Calder, John A. Schneeloch, Yongqiang Cheng, Bing Li, Despina Louca

Abstract: The ilmenite NiTiO3 consists of a buckled honeycomb lattice, with the Ni spins aligned ferromagnetically in-plane and antiferromagnetically out-of-plane. Using neutron spectroscopy, the magnetic structure and the dynamics were investigated as a function of temperature. Dispersive acoustic bands and nearly dispersionless optical bands at ~3.7 meV are described by a highly anisotropy Heisenberg mode… ▽ More The ilmenite NiTiO3 consists of a buckled honeycomb lattice, with the Ni spins aligned ferromagnetically in-plane and antiferromagnetically out-of-plane. Using neutron spectroscopy, the magnetic structure and the dynamics were investigated as a function of temperature. Dispersive acoustic bands and nearly dispersionless optical bands at ~3.7 meV are described by a highly anisotropy Heisenberg model with stronger antiferromagnetic (AFM) out-of-plane, weaker ferromagnetic (FM) in-plane interactions and an anisotropy gap of 0.95 meV. The order parameter yields a critical exponent between the Heisenberg and two-dimensional Ising models, consistent with highly anisotropic Heisenberg systems. The frustration parameter ~ 2 supports a weakly frustrated system. △ Less

Submitted 30 August, 2025; originally announced September 2025.

Comments: 12 pages, 10 figures

In situ Al$_2$O$_3$ passivation of epitaxial tantalum and aluminum films enables long-term stability in superconducting microwave resonators

Authors: Yi-Ting Cheng, Hsien-Wen Wan, Wei-Jie Yan, Lawrence Boyu Young, Yen-Hsun Glen Lin, Kuan-Hui Lai, Wan-Sin Chen, Chao-Kai Cheng, Ko-Hsuan Mandy Chen, Tun-Wen Pi, Yen-Hsiang Lin, Jueinai Kwo, Minghwei Hong

Abstract: Long-term stability of superconducting microwave resonators is essential for scalable quantum technologies; however, surface and interface degradation continue to limit device stability. Here, we demonstrate exceptional stability in microstrip resonators fabricated from epitaxial tantalum and aluminum films, protected by in situ deposited Al$_2$O$_3$ under ultra-high vacuum. These resonators initi… ▽ More Long-term stability of superconducting microwave resonators is essential for scalable quantum technologies; however, surface and interface degradation continue to limit device stability. Here, we demonstrate exceptional stability in microstrip resonators fabricated from epitaxial tantalum and aluminum films, protected by in situ deposited Al$_2$O$_3$ under ultra-high vacuum. These resonators initially exhibit internal quality factors (Qi) exceeding one million and maintain high performance with minimal degradation after up to fourteen months of air exposure. In contrast, devices relying on native surface oxides show substantial declines in Qi over time, indicating increased microwave losses. X-ray photoelectron spectroscopy reveals that the in situ Al$_2$O$_3$ effectively suppresses interfacial oxidation and preserves the chemical integrity of the underlying superconducting films, whereas native oxides permit progressive oxidation, leading to device degradation. These findings establish a robust, scalable passivation strategy that addresses a longstanding materials challenge in the development of superconducting quantum circuits. △ Less

Submitted 2 August, 2025; originally announced August 2025.

Comments: 21 pages, 5 figures

Enhancing Materials Discovery with Valence Constrained Design in Generative Modeling

Authors: Mouyang Cheng, Weiliang Luo, Hao Tang, Bowen Yu, Yongqiang Cheng, Weiwei Xie, Ju Li, Heather J. Kulik, Mingda Li

Abstract: Diffusion-based deep generative models have emerged as powerful tools for inverse materials design. Yet, many existing approaches overlook essential chemical constraints such as oxidation state balance, which can lead to chemically invalid structures. Here we introduce CrysVCD (Crystal generator with Valence-Constrained Design), a modular framework that integrates chemical rules directly into the… ▽ More Diffusion-based deep generative models have emerged as powerful tools for inverse materials design. Yet, many existing approaches overlook essential chemical constraints such as oxidation state balance, which can lead to chemically invalid structures. Here we introduce CrysVCD (Crystal generator with Valence-Constrained Design), a modular framework that integrates chemical rules directly into the generative process. CrysVCD first employs a transformer-based elemental language model to generate valence-balanced compositions, followed by a diffusion model to generate crystal structures. The valence constraint enables orders-of-magnitude more efficient chemical valence checking, compared to pure data-driven approaches with post-screening. When fine-tuned on stability metrics, CrysVCD achieves 85% thermodynamic stability and 68% phonon stability. Moreover, CrysVCD supports conditional generation of functional materials, enabling discovery of candidates such as high thermal conductivity semiconductors and high-$κ$ dielectric compounds. Designed as a general-purpose plugin, CrysVCD can be integrated into diverse generative pipeline to promote chemical validity, offering a reliable, scientifically grounded path for materials discovery. △ Less

Submitted 26 July, 2025; originally announced July 2025.

Comments: 13 pages, 4 figures

Oscillator Potts machines: An overdamped Langevin model for low-energy sampling of the standard Potts model

Authors: Yi Cheng, Zongli Lin

Abstract: The standard Potts model is a fundamental model in statistical physics that generalizes the Ising model. Although Ising machines, as Langevin models, have been widely studied for sampling the Ising model, studies of Langevin models for sampling the standard Potts model are still lacking. In this work, we present a compact and physically realizable Langevin model that serves as a sampler for sampli… ▽ More The standard Potts model is a fundamental model in statistical physics that generalizes the Ising model. Although Ising machines, as Langevin models, have been widely studied for sampling the Ising model, studies of Langevin models for sampling the standard Potts model are still lacking. In this work, we present a compact and physically realizable Langevin model that serves as a sampler for sampling the low-energy spin configurations of the standard Potts model. △ Less

Submitted 23 July, 2025; originally announced July 2025.

Benchmarking Universal Machine Learning Interatomic Potentials for Real-Time Analysis of Inelastic Neutron Scattering Data

Authors: Bowen Han, Yongqiang Cheng

Abstract: The accurate calculation of phonons and vibrational spectra remains a significant challenge, requiring highly precise evaluations of interatomic forces. Traditional methods based on the quantum description of the electronic structure, while widely used, are computationally expensive and demand substantial expertise. Emerging universal machine learning interatomic potentials (uMLIPs) offer a transf… ▽ More The accurate calculation of phonons and vibrational spectra remains a significant challenge, requiring highly precise evaluations of interatomic forces. Traditional methods based on the quantum description of the electronic structure, while widely used, are computationally expensive and demand substantial expertise. Emerging universal machine learning interatomic potentials (uMLIPs) offer a transformative alternative by employing pre-trained neural network surrogates to predict interatomic forces directly from atomic coordinates. This approach dramatically reduces computation time and minimizes the need for technical knowledge. In this paper, we produce a phonon database comprising nearly 5,000 inorganic crystals to benchmark the performance of several leading uMLIPs. We further assess these models in real-world applications by using them to analyze experimental inelastic neutron scattering data collected on a variety of materials. Through detailed comparisons, we identify the strengths and limitations of these uMLIPs, providing insights into their accuracy and suitability for fast calculations of phonons and related properties, as well as for real-time interpretation of neutron scattering spectra. Our findings highlight how the rapid advancement of AI in science is revolutionizing experimental research and data analysis. △ Less

Submitted 2 June, 2025; originally announced June 2025.

A Foundation Model for Non-Destructive Defect Identification from Vibrational Spectra

Authors: Mouyang Cheng, Chu-Liang Fu, Bowen Yu, Eunbi Rha, Abhijatmedhi Chotrattanapituk, Douglas L Abernathy, Yongqiang Cheng, Mingda Li

Abstract: Defects are ubiquitous in solids and strongly influence materials' mechanical and functional properties. However, non-destructive characterization and quantification of defects, especially when multiple types coexist, remain a long-standing challenge. Here we introduce DefectNet, a foundation machine learning model that predicts the chemical identity and concentration of substitutional point defec… ▽ More Defects are ubiquitous in solids and strongly influence materials' mechanical and functional properties. However, non-destructive characterization and quantification of defects, especially when multiple types coexist, remain a long-standing challenge. Here we introduce DefectNet, a foundation machine learning model that predicts the chemical identity and concentration of substitutional point defects with multiple coexisting elements directly from vibrational spectra, specifically phonon density-of-states (PDoS). Trained on over 16,000 simulated spectra from 2,000 semiconductors, DefectNet employs a tailored attention mechanism to identify up to six distinct defect elements at concentrations ranging from 0.2% to 25%. The model generalizes well to unseen crystals across 56 elements and can be fine-tuned on experimental data. Validation using inelastic scattering measurements of SiGe alloys and MgB$_2$ superconductor demonstrates its accuracy and transferability. Our work establishes vibrational spectroscopy as a viable, non-destructive probe for point defect quantification in bulk materials, and highlights the promise of foundation models in data-driven defect engineering. △ Less

Submitted 31 May, 2025; originally announced June 2025.

Comments: 14 pages, 5 figures

Spontaneous Enhancement of Dzyaloshinskii-Moriya Interaction via Field-Cooling-Induced Interface Engineering in 2D van der Waals Ferromagnetic ternary Tellurides

Authors: Shian Xia, Yan Luo, Iftikhar Ahmed Malik, Xinyi Zhou, Keying Han, Yue Sun, Haoyun Lin, Hanqing Shi, Yingchun Cheng, Vanessa Li Zhang, Yi Du, Sheng Liu, Chao Zhu, Ting Yu

Abstract: The emergence of two-dimensional (2D) van der Waals (vdW) ferromagnets has opened new avenues for exploring topological spin textures and their applications in next-generation spintronics. Among these materials, Fe3GaTe2 (FGaT) emerges as a model system due to its room-temperature skyrmion phases, which are stabilized by strong Dzyaloshinskii-Moriya interaction (DMI). However, the atomistic origin… ▽ More The emergence of two-dimensional (2D) van der Waals (vdW) ferromagnets has opened new avenues for exploring topological spin textures and their applications in next-generation spintronics. Among these materials, Fe3GaTe2 (FGaT) emerges as a model system due to its room-temperature skyrmion phases, which are stabilized by strong Dzyaloshinskii-Moriya interaction (DMI). However, the atomistic origins of DMI in centrosymmetric vdW lattices remain elusive. Here, we report a spontaneous DMI enhancement mechanism driven by FC in FGaT and its analog Fe3GeTe2 (FGeT). Combining Raman spectroscopy and scanning transmission electron microscopy (STEM), we have observed the irreversible precipitation of FeTe2 in annealed FGaT. The resulting FeTe2/FGaT heterostructure is considered to break the symmetry and significantly enhance the DMI. Furthermore, similar phenomenon has been observed in the family ferromagnetic material FGeT as well. Additionally, the precipitation of FeTe2 varies significantly with different thicknesses of FGaT, aligning closely with the reported behavior of skyrmions. This discovery provides new insights into the mechanisms behind the origin of the DMI in ternary tellurides, paving the way for advanced spintronic applications. △ Less

Submitted 17 May, 2025; v1 submitted 11 May, 2025; originally announced May 2025.

Efficient construction of effective Hamiltonians with a hybrid machine learning method

Authors: Yang Cheng, Binhua Zhang, Xueyang Li, Hongyu Yu, Changsong Xu, Hongjun Xiang

Abstract: The effective Hamiltonian method is a powerful tool for simulating large-scale systems across a wide range of temperatures. However, previous methods for constructing effective Hamiltonian models suffer from key limitations: some require to manually predefine interaction terms limited flexibility in capturing complex systems, while others lack efficiency in selecting optimal interactions. In this… ▽ More The effective Hamiltonian method is a powerful tool for simulating large-scale systems across a wide range of temperatures. However, previous methods for constructing effective Hamiltonian models suffer from key limitations: some require to manually predefine interaction terms limited flexibility in capturing complex systems, while others lack efficiency in selecting optimal interactions. In this work, we introduce the Lasso-GA Hybrid Method (LGHM), a novel approach that combines Lasso regression and genetic algorithms to rapidly construct effective Hamiltonian models. Such method is broadly applicable to both magnetic systems (e.g., spin Hamiltonians) and atomic displacement models. To verify the reliability and usefulness of LGHM, we take monolayer CrI_3 and Fe_3 GaTe_2 as examples. In both cases, LGHM not only successfully identifies key interaction terms with high fitting accuracy, but also reproduces experimental magnetic ground states and Curie temperatures with further Monte Carlo simulations. Notable, our analysis of monolayer Fe_3 GaTe_2 reveals that the single-ion anisotropy and Heisenberg interaction lead to an out-of-plane ferromagnetic ground state, while the fourth-order interactions contribute significantly to the high Curie temperature. Our method is general so it can be applied to construct other effective Hamiltonian models. △ Less

Submitted 7 May, 2025; originally announced May 2025.

Constraints on magnetism and correlations in RuO$_2$ from lattice dynamics and Mössbauer spectroscopy

Authors: George Yumnam, Parul R. Raghuvanshi, John D. Budai, Dipanshu Bansal, Lars Bocklage, Douglas Abernathy, Yongqiang Cheng, Ayman Said, Igor I. Mazin, Haidong Zhou, Benjamin A. Frandsen, David S. Parker, Lucas R. Lindsay, Valentino R. Cooper, Michael E. Manley, Raphaël P. Hermann

Abstract: We provide experimental evidence for the absence of a magnetic moment in bulk RuO$_2$, a candidate altermagnetic material, by using a combination of Mössbauer spectroscopy, nuclear forward scattering, inelastic X-ray and neutron scattering, and density functional theory calculations. Using complementary Mössbauer and nuclear forward scattering we determine the $^{99}$Ru magnetic hyperfine splittin… ▽ More We provide experimental evidence for the absence of a magnetic moment in bulk RuO$_2$, a candidate altermagnetic material, by using a combination of Mössbauer spectroscopy, nuclear forward scattering, inelastic X-ray and neutron scattering, and density functional theory calculations. Using complementary Mössbauer and nuclear forward scattering we determine the $^{99}$Ru magnetic hyperfine splitting to be negligible. Inelastic X-ray and neutron scattering derived lattice dynamics of RuO$_2$ are compared to density functional theory calculations of varying flavors. Comparisons among theory with experiments indicate that electronic correlations, rather than magnetic order, are key in describing the lattice dynamics. △ Less

Submitted 6 May, 2025; originally announced May 2025.

AI-Driven Defect Engineering for Advanced Thermoelectric Materials

Authors: Chu-Liang Fu, Mouyang Cheng, Nguyen Tuan Hung, Eunbi Rha, Zhantao Chen, Ryotaro Okabe, Denisse Córdova Carrizales, Manasi Mandal, Yongqiang Cheng, Mingda Li

Abstract: Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient, and thermal conductivity, which are further complicated by the presence of defects. This review explores how artificial intelligence (AI) and machine learning (… ▽ More Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient, and thermal conductivity, which are further complicated by the presence of defects. This review explores how artificial intelligence (AI) and machine learning (ML) are transforming thermoelectric materials design. Advanced ML approaches including deep neural networks, graph-based models, and transformer architectures, integrated with high-throughput simulations and growing databases, effectively capture structure-property relationships in a complex multiscale defect space and overcome the curse of dimensionality. This review discusses AI-enhanced defect engineering strategies such as composition optimization, entropy and dislocation engineering, and grain boundary design, along with emerging inverse design techniques for generating materials with targeted properties. Finally, it outlines future opportunities in novel physics mechanisms and sustainability, highlighting the critical role of AI in accelerating the discovery of thermoelectric materials. △ Less

Submitted 24 March, 2025; originally announced March 2025.

Comments: 56 pages, 8 figures, 1 table

Symmetrical bipolar electrobending deformation in acceptor-doped piezoceramics

Authors: Yi Cheng, Shuo Tian, Bin Li, Yejing Dai

Abstract: Since 2022, large apparent strains (>1%) with highly asymmetrical strain-electric field (S-E) curves have been reported in various thin piezoceramic materials, attributed to a bidirectional electric-field-induced bending (electrobending) deformation, which consistently produces convex bending along the negative electric field direction. In this study, we report a novel unidirectional electrobendin… ▽ More Since 2022, large apparent strains (>1%) with highly asymmetrical strain-electric field (S-E) curves have been reported in various thin piezoceramic materials, attributed to a bidirectional electric-field-induced bending (electrobending) deformation, which consistently produces convex bending along the negative electric field direction. In this study, we report a novel unidirectional electrobending behavior in acceptor-doped K0.5Na0.5NbO3 ceramics, where convex bending always occurs along the pre-poling direction regardless of the direction of the applied electric field. This unique deformation is related to the reorientation of the defect dipoles in one surface layer during the pre-poling process, resulting in an asymmetrical distribution of defect dipoles in the two surface layers. The synergistic interaction between ferroelectric domains and defect dipoles in the surface layers induces this unidirectional electrobending, as evidenced by a butterfly-like symmetrical bipolar S-E curve with a giant apparent strain of 3.2%. These findings provide new insights into defect engineering strategies for developing advanced piezoelectric materials with large electroinduced displacements. △ Less

Submitted 4 March, 2025; originally announced March 2025.

MSC Class: 14J60 (Primary) 14F05; 14J26 (Secondary) 14J60 (Primary) 14F05; 14J26 (Secondary)

Lattice Schwinger Model and Spacetime Supersymmetry

Authors: Yanting Cheng, Shang Liu

Abstract: Gauge theories in (1+1)D have attracted renewed attention partially due to their experimental realizations in quantum simulation platforms. In this work, we revisit the lattice massive Schwinger model and the (1+1)D lattice Abelian-Higgs model, uncovering previously overlooked universal features, including the emergence of a supersymmetric quantum critical point when the Maxwell term's coefficient… ▽ More Gauge theories in (1+1)D have attracted renewed attention partially due to their experimental realizations in quantum simulation platforms. In this work, we revisit the lattice massive Schwinger model and the (1+1)D lattice Abelian-Higgs model, uncovering previously overlooked universal features, including the emergence of a supersymmetric quantum critical point when the Maxwell term's coefficient changes sign. To facilitate the quantum simulation of these theories, we adopt a strategy of truncating the electric field eigenvalues to a finite subset, preserving the exact gauge and global symmetries. Our primary focus is the truncated lattice Schwinger model at $θ=0$, a model not equivalent to familiar spin models. We find that upon reversing the sign of the Maxwell term, the second-order deconfinement-confinement transition can become first-order, and the two types of transitions are connected by a supersymmetric critical point in the tricritical Ising universality class. In the case of truncated abelian-Higgs model at $θ=0$, which turns out to be equivalent to the quantum Blume-Capel model, the very existence of a deconfined phase requires a negative-sign Maxwell term. Similarly, there is a tricritical Ising point separating first-order and second-order phase transitions. △ Less

Submitted 13 February, 2025; originally announced February 2025.

Comments: 5+4 pages, 5 figures

Atomic collapse in gapped graphene: lattice and valley effects

Authors: Jing Wang, Xiaotai Wu, Wen-Sheng Zhao, Yuhua Cheng, Yue Hu, Francois M. Peeters

Abstract: We study the atomic collapse phenomenon in $K$ and $K'$ valley of gapped graphene. Bound states induced by Coulomb impurity in the gap turn into atomic collapse resonances as the charge increases beyond the supercritical charge $Z_c$. $Z_c$ increases sublinear with the band gap $Δ$. The atomic collapse resonances result in peaks in the LDOS at the same energies in $K$ and $K'$ valley, but the stro… ▽ More We study the atomic collapse phenomenon in $K$ and $K'$ valley of gapped graphene. Bound states induced by Coulomb impurity in the gap turn into atomic collapse resonances as the charge increases beyond the supercritical charge $Z_c$. $Z_c$ increases sublinear with the band gap $Δ$. The atomic collapse resonances result in peaks in the LDOS at the same energies in $K$ and $K'$ valley, but the strong (weak) LDOS peaks in $K$ valley are weak (strong) LDOS peaks in $K'$ valley reminiscent of pseudospin polarization phenomenon. From a spatial LDOS analysis of the atomic collapse resonance states, we assign specific atomic orbitals to the atomic collapse resonances. Remarkably, the two $p$ atomic orbital atomic collapse states are no longer degenerate and splits into two having lobes in different directions in the graphene plane. △ Less

Submitted 24 January, 2025; originally announced January 2025.

Tuning the topological winding number by rolling up graphene

Authors: Ying-Je Lee, Yu-An Cheng, Yu-Jie Zhong, Ion Cosma Fulga, Ching-Hao Chang

Abstract: Nanoscrolls, radial superlattices formed by rolling up a nanomembrane, exhibit distinct electronic and magneto-transport properties compared to their flat counterparts. In this study, we theoretically demonstrate that the conductance can be precisely enhanced N times by rolling up graphene into an N-turn nanoscroll and applying a longitudinal magnetic field. This tunable positive magnetoconductanc… ▽ More Nanoscrolls, radial superlattices formed by rolling up a nanomembrane, exhibit distinct electronic and magneto-transport properties compared to their flat counterparts. In this study, we theoretically demonstrate that the conductance can be precisely enhanced N times by rolling up graphene into an N-turn nanoscroll and applying a longitudinal magnetic field. This tunable positive magnetoconductance stems from the topological winding number which is activated in a carbon nanoscroll with magnetic flux and its maximum value purely increases with the scroll winding number (the number of turns). By integrating material geometry and topology, our work opens the door to artificially creating, customizing, and designing topological materials in rolled-up graphene-like systems. △ Less

Submitted 21 January, 2025; originally announced January 2025.

Comments: 5 pages, 4 figures

Bias voltage controlled inversions of tunneling magnetoresistance in van der Waals heterostructures Fe3GaTe2/hBN/Fe3GaTe2

Authors: Lihao Zhang, Miao He, Xiaoyu Wang, Haodong Zhang, Keying Han, Yonglai Liu, Lei Zhang, Yingchun Cheng, Jie Pan, Zhe Qu, Zhe Wang

Abstract: We report the bias voltage controlled inversions of tunneling magnetoresistance (TMR) in magnetic tunnel junctions composed of Fe3GaTe2 electrodes and hBN tunneling barrier, observed at room temperature. The polarity reversal of TMR occurs consistently at around 0.625 V across multiple devices and temperatures, highlighting the robustness of the effect. To understand this behavior, we developed a… ▽ More We report the bias voltage controlled inversions of tunneling magnetoresistance (TMR) in magnetic tunnel junctions composed of Fe3GaTe2 electrodes and hBN tunneling barrier, observed at room temperature. The polarity reversal of TMR occurs consistently at around 0.625 V across multiple devices and temperatures, highlighting the robustness of the effect. To understand this behavior, we developed a theoretical model incorporating spin-resolved density of states (DOS) at high energy levels. By adjusting the DOS weighting at different k points to account for misalignment between the crystal structure of electrodes in experimental devices, we improved agreement between experimental and theoretical inversion voltages. Our results provide valuable insight into the voltage-controlled spin injection and detection in two-dimensional magnetic tunnel junctions, with implications for the development of energy-efficient spintronic devices. △ Less

Submitted 10 January, 2025; originally announced January 2025.

Comments: 4 Figures

Journal ref: Journal of Physics D: Applied Physics, 58, 105005 (2025)

Observation of Orbital-Selective Dual Modulations in an Anisotropic Antiferromagnetic Kagome Metal TbTi3Bi4

Authors: Renjie Zhang, Bocheng Yu, Hengxin Tan, Yiwei Cheng, Feiran Shen, Junye Yang, Dan Mu, Xinru Han, Alfred Zong, Quanxin Hu, Xuezhi Chen, Yudong Hu, Chengnuo Meng, Junchao Ren, Junqin Li, Zhenhua Chen, Zhengtai Liu, Mao Ye, Makoto Hashimoto, Donghui Lu, Shifeng Jin, Binghai Yan, Lunhua He, Ziqiang Wang, Tian Shang , et al. (3 additional authors not shown)

Abstract: Orbital selectivity is pivotal in dictating the phase diagrams of multiorbital systems, with prominent examples including the orbital-selective Mott phase and superconductivity, etc. The intercalation of anisotropic layers represents an effective method for enhancing orbital selectivity and, thereby shaping the low-energy physics of multiorbital systems. Despite its potential, related experimental… ▽ More Orbital selectivity is pivotal in dictating the phase diagrams of multiorbital systems, with prominent examples including the orbital-selective Mott phase and superconductivity, etc. The intercalation of anisotropic layers represents an effective method for enhancing orbital selectivity and, thereby shaping the low-energy physics of multiorbital systems. Despite its potential, related experimental studies remain limited. In this work, we systematically examine the interplay between orbital selectivity and magnetism in the newly discovered anisotropic kagome TbTi3Bi4 single crystal, and report a unidirectional, orbital-selective band reconstruction within the antiferromagnetic (AFM) state. By combining soft X-ray and vacuum ultraviolet angle-resolved photoemission spectroscopy (ARPES) measurements with orbital-resolved density functional theory (DFT) calculations, we identify that the band reconstruction is a manifestation of the AFM order, driven by a 1/3 nesting instability of the intercalated Tb 5dxz orbitals. Such an orbital-selective modulation leads the unusual momentum-dependent band folding and the emergence of symmetry-protected Dirac cones only at the M1 point. More importantly, the discovery of orbital-selective 3 x 1 AFM order offers crucial insights into the underlying mechanism of the fractional magnetization plateau in this Kagome AFM metal. Our findings not only underscore the essential role of both conducting and localized electrons in determining the magnetic orders of LnTi3Bi4 (Ln = Lanthanide) kagome metals but also offer a pathway for manipulating magnetism through selective control of anisotropic electronic structures. △ Less

Submitted 19 June, 2025; v1 submitted 21 December, 2024; originally announced December 2024.

Comments: To appear in PRX

High-temperature Phonon Coherence and Tunneling Effect in Semiconductor Superlattices

Authors: Zhi-Ming Geng, Jin-Shan Yao, Ying-Bin Cheng, Xue-Jun Yan, Jian Zhou, En-Rui Zhang, Jia-Yi Li, Ming-Qian Yuan, Xing Fan, Yu Deng, Hong Lu, Ming-Hui Lu, Yan-Feng Chen

Abstract: Phonons, the quanta of lattice vibrations, are primary heat carriers for semiconductors and dielectrics. The demand of effective phonon manipulation urgently emerges, because the thermal management is crucial for the ongoing development of micro/nano semiconductor devices towards higher integration and power densities1, 2. Phonons also show wave-particle duality, while they are commonly treated as… ▽ More Phonons, the quanta of lattice vibrations, are primary heat carriers for semiconductors and dielectrics. The demand of effective phonon manipulation urgently emerges, because the thermal management is crucial for the ongoing development of micro/nano semiconductor devices towards higher integration and power densities1, 2. Phonons also show wave-particle duality, while they are commonly treated as particle flows in current semiconductor structures3, 4. However, it sees constraints when the structure size reduces to nano and atomic scales, where the wave behavior of phonons begins to dominate, and studies of these phonon behaviors and their manipulations become long-standing challenges in experiments5. Here we show the experimental realization of coherent phonon transport, a wave-based thermal conduction fashion, in semiconductor structures. We report the successful observation of robust phonon coherence and tunneling effect in InAs/AlAs superlattices over an extensive temperature range up to 500 K, a breakthrough towards practical-application temperature for semiconductors compared with cryogenic conditions6. Our results demonstrate that the phonon coherence is robust even at a record-high interface density due to the dominating long-wavelength phonons, and the first-principles calculations clearly reveal their wave-particle duality. This revelation heralds a promising pathway towards efficient thermal phonon engineering at extreme scales, holding implications for a broad spectrum of semiconductor device applications, including microelectronics, optoelectronics, and thermoelectrics. △ Less

Submitted 11 December, 2024; originally announced December 2024.

Bias Voltage Driven Tunneling Magnetoresistance Polarity Reversal in 2D Stripy Antiferromagnet CrOCl

Authors: Lihao Zhang, Xiaoyu Wang, Qi Li, Haibo Xie, Liangliang Zhang, Lei Zhang, Jie Pan, Yingchun Cheng, Zhe Wang

Abstract: Atomically thin materials with coupled magnetic and electric polarization are critical for developing energy-efficient and high-density spintronic devices, yet they remain scarce due to often conflicting requirements of stabilizing both magnetic and electric orders. The recent discovery of the magnetoelectric effect in the 2D stripy antiferromagnet CrOCl highlights this semiconductor as a promisin… ▽ More Atomically thin materials with coupled magnetic and electric polarization are critical for developing energy-efficient and high-density spintronic devices, yet they remain scarce due to often conflicting requirements of stabilizing both magnetic and electric orders. The recent discovery of the magnetoelectric effect in the 2D stripy antiferromagnet CrOCl highlights this semiconductor as a promising platform to explore electric field effects on magnetoresistance. In this study, we systematically investigate the magnetoresistance in tunneling junctions of bilayer and monolayer CrOCl. We observe that the transition from antiferromagnetic to ferrimagnetic phases in both cases induces a positive magnetoresistance at low bias voltages, which reverses to a negative value at higher bias voltages. This polarity reversal is attributed to the additional electric dipoles present in the antiferromagnetic state, as supported by our theoretical calculations. These findings suggest a pathway for the electric control of spintronic devices and underscore the potential of 2D magnets like CrOCl in advancing energy-efficient spintronic applications. △ Less

Submitted 6 December, 2024; originally announced December 2024.

Journal ref: Applied Physics Letters 125, 222403(2024)

Observation of Majorana zero modes emerged from topological Dirac semimetal states under uniaxial strain

Authors: Quanxin Hu, Shengshan Qin, Yi Peng, Yuke Song, Wenyao Liu, Yiwei Cheng, Renjie Zhang, Yudong Hu, Chengnuo Meng, Yaobo Huang, Jin Li, Changqing Jin, Baiqing Lv, Jinpeng Xu, Hong Ding

Abstract: The topological properties observed in iron-based superconductors extend our understanding of vortex Majorana quasiparticle excitations in unexpected ways. Vortex Majorana physics has been extensively studied within the context of the topologically protected surface Dirac state. By employing an in-situ strain device, we demonstrate that uniaxial strain can generate Majorana zero modes out of the t… ▽ More The topological properties observed in iron-based superconductors extend our understanding of vortex Majorana quasiparticle excitations in unexpected ways. Vortex Majorana physics has been extensively studied within the context of the topologically protected surface Dirac state. By employing an in-situ strain device, we demonstrate that uniaxial strain can generate Majorana zero modes out of the topological Dirac semimetal bulk state in LiFeAs. Uniaxial strain along [100] direction is found to enhance the band renormalization of LiFeAs, effectively reducing the energy separation between the Fermi level and the topological Dirac semimetal state, and breaking C4 symmetry. Using scanning tunneling microscopy, we observe the evolution of vortex bound states in the topological Dirac semimetal state region, accompanied by the emergence of Majorana zero modes and vortex bound states contributed by the bulk band. Our work provides a controllable method for experimentally engineering Majorana physics in iron-based superconductors, and offers valuable insights into the topological Dirac semimetal state with intrinsic s-wave superconductivity. △ Less

Submitted 3 November, 2024; originally announced November 2024.

Comments: 17 pages, 4 figures

Observation of Transient Trion Induced by Ultrafast Charge Transfer in Graphene/MoS2 Heterostructure

Authors: Chen Wang, Yu Chen, Qiushi Ma, Peng Suo, Kaiwen Sun, Yifan Cheng, Xian Lin, Weimin Liu, Guohong Ma

Abstract: Van der Waals (Vdw) heterostructures constructed from TMDCs provide an ideal platform for exploring various quasiparticle behaviors, with trion-composed of neutral exciton and charged carrier-being a notable example. There are typically three methods to generate trion: electrical doping, chemical doping, and direct optical doping. The first two methods generate static trion, while the last gives r… ▽ More Van der Waals (Vdw) heterostructures constructed from TMDCs provide an ideal platform for exploring various quasiparticle behaviors, with trion-composed of neutral exciton and charged carrier-being a notable example. There are typically three methods to generate trion: electrical doping, chemical doping, and direct optical doping. The first two methods generate static trion, while the last gives rise to transient trion. Here, we present an indirect optical doping approach to generate transient trion via ultrafast charge transfer (CT) and achieve control over the trion-to-exciton ratio by adjusting CT in Gr/MoS2 heterostructure. Furthermore, we demonstrated that dynamics of the transient trion generated with this method, which shows slightly longer lifetime than that of exciton accounted for the Coulomb interactions between trion and charged defect. This study provides fresh perspectives on the construction of new quasiparticles, dynamical characterization and the control of the many-body interaction in two-dimensional structure. △ Less

Submitted 26 September, 2024; originally announced September 2024.

Comments: 16 pages, 4 figures

Structure evolution path of ferroelectric hafnium zirconium oxide nanocrystals under in-situ biasing

Authors: Yunzhe Zheng, Heng Yu, Tianjiao Xin, Kan-Hao Xue, Yilin Xu, Zhaomeng Gao, Cheng Liu, Qiwendong Zhao, Yonghui Zheng, Xiangshui Miao, Yan Cheng

Abstract: Fluorite-type $\mathrm{HfO_2}$-based ferroelectric (FE) oxides have rekindled interest in FE memories due to their compatibility with silicon processing and potential for high-density integration. The polarization characteristics of FE devices are governed by the dynamics of metastable domain structure evolution. Insightful design of FE devices for encoding and storage necessitates a comprehensive… ▽ More Fluorite-type $\mathrm{HfO_2}$-based ferroelectric (FE) oxides have rekindled interest in FE memories due to their compatibility with silicon processing and potential for high-density integration. The polarization characteristics of FE devices are governed by the dynamics of metastable domain structure evolution. Insightful design of FE devices for encoding and storage necessitates a comprehensive understanding of the internal structural evolution. Here, we demonstrate the evolution of domain structures through a transient polar orthorhombic (O)-$Pmn2_1$-like configuration via $in$-$situ$ biasing on $\mathrm{TiN/Hf_{0.5}Zr_{0.5}O_2/TiN}$ capacitors within spherical aberration-corrected transmission electron microscope, combined with theoretical calculations. Furthermore, it is directly evidenced that the non-FE O-$Pbca$ transforms into the FE O-$Pca2_1$ phase under electric field, with the polar axis of the FE-phase aligning towards the bias direction through ferroelastic transformation, thereby enhancing FE polarization. As cycling progresses further, however, the polar axis collapses, leading to FE degradation. These novel insights into the intricate structural evolution path under electrical field cycling facilitate optimization and design strategies for $\mathrm{HfO_2}$-based FE memory devices. △ Less

Submitted 17 September, 2024; originally announced September 2024.

Comments: 16 pages, 4 figures for the main text

Structural Constraint Integration in Generative Model for Discovery of Quantum Material Candidates

Authors: Ryotaro Okabe, Mouyang Cheng, Abhijatmedhi Chotrattanapituk, Nguyen Tuan Hung, Xiang Fu, Bowen Han, Yao Wang, Weiwei Xie, Robert J. Cava, Tommi S. Jaakkola, Yongqiang Cheng, Mingda Li

Abstract: Billions of organic molecules are known, but only a tiny fraction of the functional inorganic materials have been discovered, a particularly relevant problem to the community searching for new quantum materials. Recent advancements in machine-learning-based generative models, particularly diffusion models, show great promise for generating new, stable materials. However, integrating geometric patt… ▽ More Billions of organic molecules are known, but only a tiny fraction of the functional inorganic materials have been discovered, a particularly relevant problem to the community searching for new quantum materials. Recent advancements in machine-learning-based generative models, particularly diffusion models, show great promise for generating new, stable materials. However, integrating geometric patterns into materials generation remains a challenge. Here, we introduce Structural Constraint Integration in the GENerative model (SCIGEN). Our approach can modify any trained generative diffusion model by strategic masking of the denoised structure with a diffused constrained structure prior to each diffusion step to steer the generation toward constrained outputs. Furthermore, we mathematically prove that SCIGEN effectively performs conditional sampling from the original distribution, which is crucial for generating stable constrained materials. We generate eight million compounds using Archimedean lattices as prototype constraints, with over 10% surviving a multi-staged stability pre-screening. High-throughput density functional theory (DFT) on 26,000 survived compounds shows that over 50% passed structural optimization at the DFT level. Since the properties of quantum materials are closely related to geometric patterns, our results indicate that SCIGEN provides a general framework for generating quantum materials candidates. △ Less

Submitted 5 July, 2024; originally announced July 2024.

Comments: 512 pages total, 4 main figures + 218 supplementary figures

Core-level signature of long-range density-wave order and short-range excitonic correlations probed by attosecond broadband spectroscopy

Authors: Alfred Zong, Sheng-Chih Lin, Shunsuke A. Sato, Emma Berger, Bailey R. Nebgen, Marcus Hui, B. Q. Lv, Yun Cheng, Wei Xia, Yanfeng Guo, Dao Xiang, Michael W. Zuerch

Abstract: Advances in attosecond core-level spectroscopies have successfully unlocked the fastest dynamics involving high-energy electrons. Yet, these techniques are not conventionally regarded as an appropriate probe for low-energy quasiparticle interactions that govern the ground state of quantum materials, nor for studying long-range order because of their limited sensitivity to local charge environments… ▽ More Advances in attosecond core-level spectroscopies have successfully unlocked the fastest dynamics involving high-energy electrons. Yet, these techniques are not conventionally regarded as an appropriate probe for low-energy quasiparticle interactions that govern the ground state of quantum materials, nor for studying long-range order because of their limited sensitivity to local charge environments. Here, by employing a unique cryogenic attosecond beamline, we identified clear core-level signatures of long-range charge-density-wave (CDW) formation in a quasi-2D excitonic insulator candidate, even though equilibrium photoemission and absorption measurements of the same core levels showed no spectroscopic singularity at the phase transition. Leveraging the high time resolution and intrinsic sensitivity to short-range charge excitations in attosecond core-level absorption, we observed compelling time-domain evidence for excitonic correlations in the normal-state of the material, whose presence has been subjected to a long-standing debate in equilibrium experiments because of interfering phonon fluctuations in a similar part of the phase space. Our findings support the scenario that short-range excitonic fluctuations prelude long-range order formation in the ground state, providing important insights in the mechanism of exciton condensation in a quasi-low-dimensional system. These results further demonstrate the importance of a simultaneous access to long- and short-range order with underlying dynamical processes spanning a multitude of time- and energy-scales, making attosecond spectroscopy an indispensable tool for both understanding the equilibrium phase diagram and for discovering novel, nonequilibrium states in strongly correlated materials. △ Less

Submitted 16 July, 2024; v1 submitted 30 June, 2024; originally announced July 2024.

Structural changes in Ge1-xSnx and Si1-x-yGeySnx thin films on SOI substrates treated by pulse laser annealing

Authors: Oliver Steuer, Daniel Schwarz, Michael Oehme, Florian Bärwolf, Yu Cheng, Fabian Ganss, René Hübner, René Heller, Shengqiang Zhou, Manfred Helm, Gianaurelio Cuniberti, Yordan M. Georgiev, Slawomir Prucnal

Abstract: Ge1-xSnx and Si1-x-yGeySnx alloys are promising materials for future opto- and nanoelectronics applications. These alloys enable effective band-gap engineering, broad adjustability of their lattice parameter, exhibit much higher carrier mobility than pure Si, and are compatible with the CMOS technology. Unfortunately, the equilibrium solid solubility of Sn in Si1-xGex is less than 1% and the pseud… ▽ More Ge1-xSnx and Si1-x-yGeySnx alloys are promising materials for future opto- and nanoelectronics applications. These alloys enable effective band-gap engineering, broad adjustability of their lattice parameter, exhibit much higher carrier mobility than pure Si, and are compatible with the CMOS technology. Unfortunately, the equilibrium solid solubility of Sn in Si1-xGex is less than 1% and the pseudomorphic growth of Si1-x-yGeySnx on Ge or Si can cause in-plane compressive strain in the grown layer, degrading the superior properties of these alloys. Therefore, post-growth strain engineering by ultrafast non-equilibrium thermal treatments like pulse laser annealing (PLA) is needed to improve the layer quality. In this article, Ge0.94Sn0.06 and Si0.14Ge0.8Sn0.06 thin films grown on silicon-on-insulator substrates by molecular beam epitaxy were post growth thermally treated by PLA. The material is analyzed before and after the thermal treatments by transmission electron microscopy, X-ray diffraction (XRD), Rutherford backscattering spectrometry, secondary ion mass spectrometry, and Hall effect measurements. It is shown that after annealing, the material is single-crystalline with improved crystallinity than the as-grown layer. This is reflected in a significantly increased XRD reflection intensity, well-ordered atomic pillars, and increased active carrier concentrations up to 4x1019 cm-3. △ Less

Submitted 13 June, 2024; originally announced June 2024.

Superconductivity near 70 K in boron-carbon clathrates MB$_2$C$_8$ (M = Na, K, Rb, Cs) at ambient pressure

Authors: Bin Li, Yulan Cheng, Cong Zhu, Jie Cheng, Shengli Liu

Abstract: Inspired by the first boron-carbon (B-C) clathrate SrB$_3$C$_3$ and the ternary borohydride KB$_2$H$_8$ [Miao et al., Phys. Rev. B 104 L100504 (2021)], we have performed first-principles density functional theory calculations of the electronic and phonon band structures for B-C compounds MB$_2$C$_8$ (M = Na, K, Rb, Cs). Our calculations reveal that these materials are dynamically stable and can po… ▽ More Inspired by the first boron-carbon (B-C) clathrate SrB$_3$C$_3$ and the ternary borohydride KB$_2$H$_8$ [Miao et al., Phys. Rev. B 104 L100504 (2021)], we have performed first-principles density functional theory calculations of the electronic and phonon band structures for B-C compounds MB$_2$C$_8$ (M = Na, K, Rb, Cs). Our calculations reveal that these materials are dynamically stable and can potentially exhibit superconductivity at ambient pressure. However, only the K, Rb, and Cs compounds exhibit thermodynamic stability below 50 GPa, while NaB$_2$C$_8$ remains thermodynamically unstable at all pressures considered. Based on the Allen and Dynes modified McMillan equation, we predict the superconducting transition temperature $T_c$ of these compounds to be over 65 K at ambient pressure, with $T_c$ decreasing under higher pressures. Remarkably, we find CsB$_2$C$_8$ possesses the highest predicted $T_c$ of 68.76 K. Our findings demonstrate the possibility of high temperature superconductivity in cubic MB$_2$C$_8$ at ambient pressure, expanding the B-C clathrate superconductor family. These results provide valuable insights to guide the identification of new atmospheric pressure superconductors. △ Less

Submitted 22 May, 2024; originally announced May 2024.

Journal ref: Phys. Rev. B 109,184517 (2024)

In-situ observation of field-induced nano-protrusion growth on a carbon-coated tungsten nanotip

Authors: Guodong Meng, Yimeng Li, Roni Aleksi Koitermaa, Veronika Zadin, Yonghong Cheng, Andreas Kyritsakis

Abstract: Nano-protrusion (NP) on metal surface and its inevitable contamination layer under high electric field is often considered as the primary precursor that leads to vacuum breakdown, which plays an extremely detrimental effect for high energy physics equipment and many other devices. Yet, the NP growth has never been experimentally observed. Here, we conduct field emission (FE) measurements along wit… ▽ More Nano-protrusion (NP) on metal surface and its inevitable contamination layer under high electric field is often considered as the primary precursor that leads to vacuum breakdown, which plays an extremely detrimental effect for high energy physics equipment and many other devices. Yet, the NP growth has never been experimentally observed. Here, we conduct field emission (FE) measurements along with in-situ Transmission Electron Microscopy (TEM) imaging of an amorphous-carbon (a-C) coated tungsten nanotip at various nanoscale vacuum gap distances. We find that under certain conditions, the FE current-voltage (I-V) curves switch abruptly into an enhanced-current state, implying the growth of an NP. We then run field emission simulations, demonstrating that the temporary enhanced-current I-V is perfectly consistent with the hypothesis that a NP has grown at the apex of the tip. This hypothesis is also confirmed by the repeatable in-situ observation of such a nano-protrusion and its continued growth during successive FE measurements in TEM. We tentatively attribute this phenomenon to field-induced biased diffusion of surface a-C atoms, after performing a finite element analysis that excludes the alternative possibility of field-induced plastic deformation. △ Less

Submitted 18 March, 2024; originally announced March 2024.

Phase transitions in typical fluorite-type ferroelectrics

Authors: Heng Yu, Kan-Hao Xue, Nan Feng, Yunzhe Zheng, Yan Cheng, Ben Xu, Xiangshui Miao

Abstract: While ferroelectric hafnia ($\mathrm{HfO_2}$) has become a technically important material for microelectronics, the physical origin of its ferroelectricity remains poorly understood. The tetragonal $P4_2/nmc$ phase is commonly assigned as its paraelectric mother phase but has no soft mode at the Brillouin zone center. In this work, we propose that the paraelectric-ferroelectric transition in hafni… ▽ More While ferroelectric hafnia ($\mathrm{HfO_2}$) has become a technically important material for microelectronics, the physical origin of its ferroelectricity remains poorly understood. The tetragonal $P4_2/nmc$ phase is commonly assigned as its paraelectric mother phase but has no soft mode at the Brillouin zone center. In this work, we propose that the paraelectric-ferroelectric transition in hafnia-like $Pca2_1$ ferroelectric family can be described by a $Pcca$-$Pca2_1$ transition, where the $Pcca$ mother phase will evolve into either the $Pca2_1$ ferroelectric phase or the centrosymmetric $P2_1/c$ monoclinic phase, depending on the strain conditions. The $Pcca$ phase is directly linked to both phases in the context of continuous phase transition. Hafnia is regarded as a special case of this family, in that it has accidental atomic degeneracy because all anions are oxygen. The theory is also correlated to the seven-coordination theory that explains the ferroelectricity in hafnia from a chemical perspective. In addition, the strain conditions to promote the ferroelectric phase in hafnia are discussed. △ Less

Submitted 4 June, 2024; v1 submitted 13 March, 2024; originally announced March 2024.

Comments: 12 pages, 4 figures

Journal ref: Applied Physics Letters 125, 102903 (2024)

Structure and lattice excitations of the copper substituted lead oxyapatite Pb$_{9.06(7)}$Cu$_{0.94(6)}$(PO$_{3.92(4)}$)$_{6}$O$_{0.96(3)}$

Authors: Qiang Zhang, Yingdong Guan, Yongqiang Cheng, Lujin Min, Jong K. Keum, Zhiqiang Mao, Matthew B. Stone

Abstract: The copper substituted lead oxyapatite, Pb$_{10-x}$Cu$_{x}$(PO$_{3.92(4)}$)$_{6}$O$_{0.96(3)}$ (x=0.94(6)) was studied using neutron and x-ray diffraction and neutron spectroscopy techniques. The crystal structure of the main phase of our sample, which has come to be colloquially known as LK-99, is verified to possess a hexagonal structure with space group $P 6_{3}/m$, alongside the presence of im… ▽ More The copper substituted lead oxyapatite, Pb$_{10-x}$Cu$_{x}$(PO$_{3.92(4)}$)$_{6}$O$_{0.96(3)}$ (x=0.94(6)) was studied using neutron and x-ray diffraction and neutron spectroscopy techniques. The crystal structure of the main phase of our sample, which has come to be colloquially known as LK-99, is verified to possess a hexagonal structure with space group $P 6_{3}/m$, alongside the presence of impurity phases Cu and Cu$_2$S. We determine the primary substitution location of the Cu as the Pb1 ($6h$) site, with a small substitution at the Pb2 ($4f$) site. Consequently, no clear Cu-doping-induced structural distortion was observed in the investigated temperature region between 10~K and 300~K. Specially, we did not observe a reduction of coordinate number at the Pb2 site or a clear tilting of PO$_4$ tetrahedron. Magnetic characterization reveals a diamagnetic signal in the specimen, accompanied by a very weak ferromagnetic component at 2 K. No long-range magnetic order down to 10 K was detected by the neutron diffraction. Inelastic neutron scattering measurements did not show magnetic excitations for energies up to 350 meV. There is no sign of a superconducting resonance in the excitation spectrum of this material. The measured phonon density of states compares well with density functional theory calculations performed for the main LK-99 phase and its impurity phases. Our study may shed some insight into the role of the favored substitution site of copper in the absence of structural distortion and superconductivity in LK-99. △ Less

Submitted 16 January, 2024; originally announced January 2024.

Comments: 11 pages, 8 figures. Physical Review Materials, In press

Emergent Gauge Theory in Rydberg Atom Arrays

Authors: Yanting Cheng, Hui Zhai

Abstract: Rydberg atom arrays have emerged as a novel platform exhibiting rich quantum many-body physics and offering promise for universal quantum computation. The Rydberg blockade effect plays an essential role in establishing many-body correlations in this system. In this review, we will highlight that the lattice gauge theory is an efficient description of the Rydberg blockade effect and overview recent… ▽ More Rydberg atom arrays have emerged as a novel platform exhibiting rich quantum many-body physics and offering promise for universal quantum computation. The Rydberg blockade effect plays an essential role in establishing many-body correlations in this system. In this review, we will highlight that the lattice gauge theory is an efficient description of the Rydberg blockade effect and overview recent exciting developments in this system from equilibrium phases to quantum dynamics. These developments include realizing exotic ground states such as spin liquids, discovering quantum many-body scar states violating quantum thermalization, and observing confinement-deconfinement transition through quantum dynamics. We emphasize that the gauge theory description offers a universal theoretical framework to capture all these phenomena. This perspective of Rydberg atom arrays will inspire further the future development of quantum simulation and quantum computation in this platform. △ Less

Submitted 15 January, 2024; originally announced January 2024.

Comments: 12 pages, 5 figures

Journal ref: Nature Reviews Physics 6, 566 (2024)

Anomalous exchange bias effect in ferromagnetic VI3 flakes

Authors: Xi Zhang, Xiuquan Xia, Qiye Liu, Yonggang He, Le Wang, Junhao Lin, Jia-Wei Mei, Yingchun Cheng, Jun-Feng Dai

Abstract: The exchange bias (EB) effect, pivotal in magnetic data storage and sensing devices, has been observed not only in interfacial regions but also in intrinsic ferromagnetic materials. Here, we've uncovered a robust and stable exchange bias effect within the layered van der Waals (vdW) ferromagnet VI3 employing magnetic circular dichroism microscopy. At 10 K, we observed a significant exchange field… ▽ More The exchange bias (EB) effect, pivotal in magnetic data storage and sensing devices, has been observed not only in interfacial regions but also in intrinsic ferromagnetic materials. Here, we've uncovered a robust and stable exchange bias effect within the layered van der Waals (vdW) ferromagnet VI3 employing magnetic circular dichroism microscopy. At 10 K, we observed a significant exchange field of approximately 0.1 T, accompanied by random shifts (positive or negative relative to zero magnetic field) after zero-field cooling. Notably, this effect is effectively controllable after field cooling, with shift direction opposing the applied magnetic field. The presence of strong magnetic anisotropic energy within VI3 results in larger coercivity-bound magnetic domains. These domains dictate the neighboring ferromagnetic alignment and induce shifts in the hysteresis loop. Our study not only contributes to comprehending fundamental nanoscale magnetic interactions but also sheds light on emergent phenomena within layered van der Waals magnets. △ Less

Submitted 28 December, 2023; originally announced December 2023.

A newly developed 10kA-level HTS conductor: innovative tenon-mortise-based modularized conductor (TMMC) based on China ancient architecture

Authors: Jinxing Zheng, Yuan Cheng, Lei Wang, Fei Liu, Haiyang liu, Ming Li, Lei Zhu

Abstract: We propose a new type of high temperature superconducting (HTS) conductor concept: modularized conductors (MC) connected by Chinese traditional tenon mortise (TM) connection structure, reffered as TMMC. The conductor consists of multiple concentric round sub conductors with slots for stacking REBCO tapes. Innovatively, the REBCO stacks in the adjacent sub conductors are arranged with the fully mis… ▽ More We propose a new type of high temperature superconducting (HTS) conductor concept: modularized conductors (MC) connected by Chinese traditional tenon mortise (TM) connection structure, reffered as TMMC. The conductor consists of multiple concentric round sub conductors with slots for stacking REBCO tapes. Innovatively, the REBCO stacks in the adjacent sub conductors are arranged with the fully misaligned configuration to enhance the critical current' s isotropy with respect to magnetic field and reduce ac loss. For example, the angle between the adjacent stacks in the two adjacent sub conductors is 45 degree if each subconductor contains 4 REBCO stacks. In order to construct the fully misaligned configuration, the sub conductors are designed with two open half circular formers and connected by tenonmortise structure which makes the conductor modulrized and simply to assembly and disassembly. Based on the design concept, a prototype conductor containing 160 REBCO tapes distributed in the four concentric sub conductors is fabricated. The conductor measured critical current is 13.69 kA at 77 K and sefl field, which is consistent to the simulaiton result. In order to further improve the TMMC' s engineering critical current density (Jce) and bending performance, we propose two enhancement approaches which are reducing the former' s thickness and rearrange stacks in the outer sub conductors. With the enhancements, both TMMC' s radius and Jce are comparable to the existing slotted core conductor. The study shows the TMMC' s advantages of nontwisted structures, easy assembly, high current carrying and low ac losses, which makes it promising for constructing large scale scientific devices. △ Less

Submitted 16 December, 2023; originally announced December 2023.

Approaching the robust linearity in dual-floating van der Waals photodiode

Authors: Jinpeng Xu, Xiaoguang Luo, Xi Lin, Xi Zhang, Fan Liu, Yuting Yan, Siqi Hu, Mingwen Zhang, Nannan Han, Xuetao Gan, Yingchun Cheng, Wei Huang

Abstract: Two-dimensional (2D) material photodetectors have gained great attention as potential elements for optoelectronic applications. However, the linearity of the photoresponse is often compromised by the carrier interaction, even in 2D photodiodes. In this study, we present a new device concept of dual-floating van der Waals heterostructures (vdWHs) photodiode by employing ambipolar MoTe2 and n-type M… ▽ More Two-dimensional (2D) material photodetectors have gained great attention as potential elements for optoelectronic applications. However, the linearity of the photoresponse is often compromised by the carrier interaction, even in 2D photodiodes. In this study, we present a new device concept of dual-floating van der Waals heterostructures (vdWHs) photodiode by employing ambipolar MoTe2 and n-type MoS2 2D semiconductors. The presence of type II heterojunctions on both sides of channel layers effectively deplete carriers and restrict the photocarrier trapping within the channel layers. As a result, the device exhibits robust linear photoresponse under photovoltaic mode from the visible (405 nm) to near-infrared (1600 nm) band. With the built-in electric field of the vdWHs, we achieve a linear dynamic range of ~ 100 dB, responsivity of ~ 1.57 A/W, detectivity of ~ 4.28 * 10^11 Jones, and response speed of ~ 30 μs. Our results showcase a promising device concept with excellent linearity towards fast and low-loss detection, high-resolution imaging, and logic optoelectronics. △ Less

Submitted 11 December, 2023; originally announced December 2023.

Comments: 29 pages, 5 figures in the main text, 12 figures and 2 tables in the supporting information

Self-powered programmable van der Waals photodetectors with nonvolatile semi-floating gate

Authors: Fan Liu, Xi Lin, Yuting Yan, Xuetao Gan, Yingchun Cheng, Xiaoguang Luo

Abstract: Tunable photovoltaic photodetectors are of significant relevance in the fields of programmable and neuromorphic optoelectronics. However, their widespread adoption is hindered by intricate architectural design and energy consumption challenges. This study employs a nonvolatile MoTe2/hBN/graphene semi-floating photodetector to address these issues. Programed with pulsed gate voltage, the MoTe2 chan… ▽ More Tunable photovoltaic photodetectors are of significant relevance in the fields of programmable and neuromorphic optoelectronics. However, their widespread adoption is hindered by intricate architectural design and energy consumption challenges. This study employs a nonvolatile MoTe2/hBN/graphene semi-floating photodetector to address these issues. Programed with pulsed gate voltage, the MoTe2 channel can be reconfigured from an n+-n to a p-n homojunction, and the photocurrent transition changes from negative to positive values. Scanning photocurrent mapping reveals that the negative and positive photocurrents are attributed to Schottky junction and p-n homojunction, respectively. In the p-n configuration, the device demonstrates self-driven, linear, rapid response (~3 ms), and broadband sensitivity (from 405 to 1500 nm) for photodetection, with typical performances of responsivity at ~0.5 A/W and detectivity ~1.6*10^12 Jones under 635 nm illumination. These outstanding photodetection capabilities emphasize the potential of the semi-floating photodetector as a pioneering approach for advancing logical and nonvolatile optoelectronics. △ Less

Submitted 11 December, 2023; originally announced December 2023.

Comments: 34 pages, 5 figures in the main text, 12 figures and 1 table in the supporting information

Probing Lithium Ion Transport at Individual Interfaces

Authors: Kartik Venkatraman, Yongqiang Cheng, Alexandra Moy, Jordan A. Hachtel, Michael J. Zachman, Abinash Kumar, Olivier Delaire, Jeff Sakamoto, Miaofang Chi

Abstract: Ion transport across solid solid interfaces is often slower than through the bulk of a material, impeding the charge and discharge rate of batteries. Designing highly conductive interfaces is challenging due to the need to probe ion conduction at individual interfaces and correlate it with the local structure. In this study, we address this challenge by enabling the simultaneous measurements of lo… ▽ More Ion transport across solid solid interfaces is often slower than through the bulk of a material, impeding the charge and discharge rate of batteries. Designing highly conductive interfaces is challenging due to the need to probe ion conduction at individual interfaces and correlate it with the local structure. In this study, we address this challenge by enabling the simultaneous measurements of local Li-dominated optical phonons and ion distributions, using high-energy and high-spatial-resolution spectroscopy in a scanning transmission electron microscope (STEM). Further, this method allows for a direct correlation of ion conduction with interfacial structures identified by STEM imaging. By examining diverse individual interfaces of LiCoO2, we reveal the sensitivity of ion conduction to interface atomic-scale structure and chemistry. Our method enables correlative analysis of ion transport behavior, and atomic and band structures, and can serve as a robust experimental approach for identifying interface structures that offer high conductivity and cyclability for batteries. △ Less

Submitted 10 December, 2023; originally announced December 2023.

Room-temperature non-volatile optical manipulation of polar order in a charge density wave

Authors: Qiaomei Liu, Dong Wu, Tianyi Wu, Shanshan Han, Yiran Peng, Zhihong Yuan, Yihan Cheng, Bohan Li, Tianchen Hu, Li Yue, Shuxiang Xu, Ruoxuan Ding, Ming Lu, Rongsheng Li, Sijie Zhang, Baiqing Lv, Alfred Zong, Yifan Su, Nuh Gedik, Zhiping Yin, Tao Dong, Nanlin Wang

Abstract: Utilizing ultrafast light-matter interaction to manipulate electronic states of quantum materials is an emerging area of research in condensed matter physics. It has significant implications for the development of future ultrafast electronic devices. However, the ability to induce long-lasting metastable electronic states in a fully reversible manner is a long-standing challenge.Here, by using ult… ▽ More Utilizing ultrafast light-matter interaction to manipulate electronic states of quantum materials is an emerging area of research in condensed matter physics. It has significant implications for the development of future ultrafast electronic devices. However, the ability to induce long-lasting metastable electronic states in a fully reversible manner is a long-standing challenge.Here, by using ultrafast laser excitations, we demonstrate the capability to manipulate the electronic polar states in the charge-density-wavematerial EuTe4 in a non-volatile manner. The process is completely reversible and is achieved at room temperature with an all-optical approach. Each induced non-volatile state brings about modifications to the electrical resistance and second harmonic generation intensity. The results point to layer-specific phase inversion dynamics by which photoexcitation mediates the stacking polar order of the system. Our findings extend the scope of non-volatile all-optical control of electronic states to ambient conditions, and highlight a distinct role of layerdependent phase manipulation in quasi-two-dimensional systems with inherent sublayer stacking orders. △ Less

Submitted 17 October, 2024; v1 submitted 16 October, 2023; originally announced October 2023.

Comments: 19 pages, 4 figures

Journal ref: Nature Communications volume 15, Article number: 8937 (2024)

Nonreciprocal Bistability in Coupled Nonlinear Cavity Magnonics

Authors: Wei Xiong, Yuan Gong, Zhuanxia Li, Ying-Xia Wu, Yan-Xue Cheng, Jiaojiao Chen

Abstract: We propose a coupled nonlinear cavity-magnon system, consisting of two cavities, a second-order nonlinear element, and a yttrium-iron-garnet (YIG) sphere that supports Kerr magnons, to realize the sought-after highly tunable nonreciprocity. We first derive the critical condition for switching between reciprocity and nonreciprocity in the absence of magnon driving, and then numerically demonstrate… ▽ More We propose a coupled nonlinear cavity-magnon system, consisting of two cavities, a second-order nonlinear element, and a yttrium-iron-garnet (YIG) sphere that supports Kerr magnons, to realize the sought-after highly tunable nonreciprocity. We first derive the critical condition for switching between reciprocity and nonreciprocity in the absence of magnon driving, and then numerically demonstrate that strong magnonic nonreciprocity can be achieved by violating this critical condition. When magnons are driven, we show that strong magnonic nonreciprocity can also be attained even within the critical condition. Compared to previous studies, the introduced nonlinear element not only relaxes the critical condition in both the weak and strong coupling regimes, but also offers an alternative means to tune magnonic nonreciprocity. Our work provides a promising avenue for realizing highly tunable nonreciprocal devices based on Kerr magnons. △ Less

Submitted 19 December, 2025; v1 submitted 17 September, 2023; originally announced September 2023.

Comments: 10 pages, 9 figures

Journal ref: Chaos, Solitons and Fractals 204, 117777 (2026)

Coexistence of near-EF flat band and van Hove singularity in a two-phase superconductor

Authors: Xuezhi Chen, Le Wang, Jun Ishizuka, Kosuke Nogaki, Yiwei Cheng, Fazhi Yang, Renjie Zhang, Zhenhua Chen, Fangyuan Zhu, Youichi Yanase, Baiqing Lv, Yaobo Huang

Abstract: In quantum many-body systems, particularly, the ones with large near-EF density states, like flat bands or van Hove singularity (VHS), electron correlations often give rise to rich phase diagrams with multiple coexisting/competing orders occurring at similar energy scales. The recently discovered locally noncentrosymmetric heavy fermion superconductor CeRh2As2 has stimulated extensive attention du… ▽ More In quantum many-body systems, particularly, the ones with large near-EF density states, like flat bands or van Hove singularity (VHS), electron correlations often give rise to rich phase diagrams with multiple coexisting/competing orders occurring at similar energy scales. The recently discovered locally noncentrosymmetric heavy fermion superconductor CeRh2As2 has stimulated extensive attention due to its unusual H-T phase diagram, consisting of two-phase superconductivity, antiferromagnetic order, and possible quadrupole-density wave orders. However, despite its great importance, the near-EF electronic structure remains experimentally elusive. Here, we provide this key information by combining soft X-ray and vacuum ultraviolet (VUV) angle-resolved photoemission spectroscopy measurements and atom-resolved DFT+U calculations. With bulk-sensitive soft X-rays, we reveal quasi-2D hole- and 3D electron- pockets with a pronounced nesting feature. Most importantly, we observe a symmetry-protected fourfold VHS coexisting with the Ce 4f flat bands near the EF, which, to the best of our knowledge, has never been reported before. Such a rare coexistence is expected to lead to a large density of states at the zone edge, enhancement in electron correlations, and a large upper critical field of the odd-parity superconducting phase. Uniquely, it will also result in a new type of f-VHS hybridization that alters the order and fine electronic structure of the symmetry-protected VHS and flat bands. These peculiarities offer important dimensions for understanding the reported rich phase diagram and are discussed as an origin of superconductivity with two phases. Our findings not only provide key insights into the nature of multiple phases in CeRh$_2$As$_2$, but also open up new prospects for exploring the novelties of many-body systems with f-VHS hybridization. △ Less

Submitted 11 September, 2023; originally announced September 2023.

Comments: A version of the original submission (submitted in July)

Journal ref: Phys. Rev. X 14, 021048 (2024)

Liquid Droplet as Adaptive Material while Levitating via Coupling between Plasma and Kelvin Force

Authors: Ping-Rui Tsai, Hong-Yue Huang, Ying-Pin Tsai, Chih-Jung Lin, Bo-Kai Xu, Jih-Kang Hsieh, Yu-Ting Cheng, Cheng-Wei Lai, Yu Hsuan Kao, Wen-Chi Chen, Fu-Li Hsiao, Yu-Jane Sheng, Po-Heng Lin, Tzay-Ming Hong

Abstract: Fascinating in art and science, the ability to float is also captivating and relevant in practical applications, such as Penning and ion traps that are fundamental to quantum computing. In this work, we first reproduce the classic water bridge by glycerol and, as it breaks down due to thermal agitation, observe that a lump of glycerol with mass~2.5 g can float and exhibit near-periodic oscillation… ▽ More Fascinating in art and science, the ability to float is also captivating and relevant in practical applications, such as Penning and ion traps that are fundamental to quantum computing. In this work, we first reproduce the classic water bridge by glycerol and, as it breaks down due to thermal agitation, observe that a lump of glycerol with mass~2.5 g can float and exhibit near-periodic oscillations. Through experiments, finite element analysis, and simulations, we discover that the stability of the floating droplet is made possible by the interaction between three mechanisms: Deformation, Plasma, and Kelvin force. Note that glycerol cluster (GC) falls in the class of adaptive materials that can change their properties or behavior in response to varying environmental conditions, i.e., stimuli-responsive. Furthermore, the stimuli, modified by the deformation of GC, collaborate with it to create this unique simple, yet stable, floating system. Backed up by simulations, this process, operated by only a single pair of electrodes, holds the potential to develop a simple yet powerful railgun. △ Less

Submitted 26 July, 2025; v1 submitted 3 July, 2023; originally announced July 2023.

Comments: 22 pages, 9 figures

Observation of microscopic confinement dynamics by a tunable topological $θ$-angle

Authors: Wei-Yong Zhang, Ying Liu, Yanting Cheng, Ming-Gen He, Han-Yi Wang, Tian-Yi Wang, Zi-Hang Zhu, Guo-Xian Su, Zhao-Yu Zhou, Yong-Guang Zheng, Hui Sun, Bing Yang, Philipp Hauke, Wei Zheng, Jad C. Halimeh, Zhen-Sheng Yuan, Jian-Wei Pan

Abstract: The topological $θ$-angle is central to the understanding of a plethora of phenomena in condensed matter and high-energy physics such as the strong CP problem, dynamical quantum topological phase transitions, and the confinement--deconfinement transition. Difficulties arise when probing the effects of the topological $θ$-angle using classical methods, in particular through the appearance of a sign… ▽ More The topological $θ$-angle is central to the understanding of a plethora of phenomena in condensed matter and high-energy physics such as the strong CP problem, dynamical quantum topological phase transitions, and the confinement--deconfinement transition. Difficulties arise when probing the effects of the topological $θ$-angle using classical methods, in particular through the appearance of a sign problem in numerical simulations. Quantum simulators offer a powerful alternate venue for realizing the $θ$-angle, which has hitherto remained an outstanding challenge due to the difficulty of introducing a dynamical electric field in the experiment. Here, we report on the experimental realization of a tunable topological $θ$-angle in a Bose--Hubbard gauge-theory quantum simulator, implemented through a tilted superlattice potential that induces an effective background electric field. We demonstrate the rich physics due to this angle by the direct observation of the confinement--deconfinement transition of $(1+1)$-dimensional quantum electrodynamics. Using an atomic-precision quantum gas microscope, we distinguish between the confined and deconfined phases by monitoring the real-time evolution of particle--antiparticle pairs, which exhibit constrained (ballistic) propagation for a finite (vanishing) deviation of the $θ$-angle from $π$. Our work provides a major step forward in the realization of topological terms on modern quantum simulators, and the exploration of rich physics they have been theorized to entail. △ Less

Submitted 20 June, 2023; originally announced June 2023.

Comments: $7+7$ pages, $4+7$ figures, $1+0$ table

Pressure tunable quantum anomalous Hall states in a topological antiferromagnet

Authors: Su Kong Chong, Chao Lei, Jie Li, Yang Cheng, David Graf, Seng Huat Lee, Masaki Tanabe, Ting-Hsun Yang, Zhiqiang Mao, Allan H. MacDonald, Kang L. Wang

Abstract: Mechanical modulation of the lattice parameter can modify the electronic structure and manipulate the magnetic coupling of a material without introducing impurities. Inspired by success in pressure-controlled magnetism, we investigate the effect of hydrostatic pressure on quantized Chern states in the antiferromagnetic topological insulator MnBi2Te4, using transport as a probe. We show that pressu… ▽ More Mechanical modulation of the lattice parameter can modify the electronic structure and manipulate the magnetic coupling of a material without introducing impurities. Inspired by success in pressure-controlled magnetism, we investigate the effect of hydrostatic pressure on quantized Chern states in the antiferromagnetic topological insulator MnBi2Te4, using transport as a probe. We show that pressure can enhance the robustness of quantum anomalous Hall (QAH) phases that are otherwise delicate in 7SL MnBi2Te4 and in the spin-flop (SF) state of 8SL MnBi2Te4. We explain our findings using a coupled Dirac cone model of MnBi2Te4, which identifies stronger hybridization between van der Waals layers as the driver of topological states. We further demonstrate that moderate pressures readily available in laboratory systems can provide reversible control of magnetic and topological phases. Our results reveal a strong connection between the mechanical engineering of band topology and magnetism. △ Less

Submitted 17 June, 2023; originally announced June 2023.

Comments: 11 pages, 4 figures

Formation and mechanics of fire ant rafts as an active self-healing membrane

Authors: Chung-Hao Chen, Ting-Heng Hsieh, Hong-Yue Huang, Yu-Chuan Cheng, Tzay-Ming Hong

Abstract: The unique ability of fire ants to form a raft to survive flooding rain has enchanted biologists as well as researchers in other disciplines. It has been established during the last decade that an aggregation of fire ants exhibits viscoelasticity with respect to external compression and shearing among numerous unusual mechanical properties. In addition to clarifying that the Cheerios effect is nei… ▽ More The unique ability of fire ants to form a raft to survive flooding rain has enchanted biologists as well as researchers in other disciplines. It has been established during the last decade that an aggregation of fire ants exhibits viscoelasticity with respect to external compression and shearing among numerous unusual mechanical properties. In addition to clarifying that the Cheerios effect is neither sufficient nor essential for the ant raft, we perform the force-displacement and creep experiments on the ant raft and concentrate on unearthing properties that derive from the unique combination of self-healing and activeness of its constituent. Varying pull speed results in distinct mechanical responses and fracture patterns, characteristic of ductile and brittle material. By image processing, we count the number of ants that actively participate in the stress-strain relation and determine their orientation to map out the force chain. The latter information reveals that the pull force expedites the alignment of fire ants, in analogy to the effect of an electric field on liquid crystal polymers. In addition, the raft can be tailored not to transversely deform in response to the axial strain. Without resorting to specific geometry structures, this property of zero Poisson's ratio is enabled by the active recruitment of ants from the top to bottom layer to keep the raft from disintegrating. Furthermore, effective Young's modulus can also be customized and is proportion to either the raft length or its inverse, depending on whether the raft is in the elastic or plastic region. △ Less

Submitted 5 June, 2023; originally announced June 2023.

Comments: 7 pages, 7 figures

Extend the random-walk shielding-potential viscosity model to hot temperature regime

Authors: Yuqing Cheng, Xingyu Gao, Qiong Li, Yu Liu, Haifeng Song, Haifeng Liu

Abstract: The transport properties of matter have been widely investigated. In particular, shear viscosity over a wide parameter space is crucial for various applications, such as designing inertial confinement fusion (ICF) targets and determining the Rayleigh-Taylor instability. In this work, an extended random-walk shielding-potential viscosity model (ext-RWSP-VM) based on the statistics of random-walk io… ▽ More The transport properties of matter have been widely investigated. In particular, shear viscosity over a wide parameter space is crucial for various applications, such as designing inertial confinement fusion (ICF) targets and determining the Rayleigh-Taylor instability. In this work, an extended random-walk shielding-potential viscosity model (ext-RWSP-VM) based on the statistics of random-walk ions and the Debye shielding effect is proposed to elevate the temperature limit of RWSP-VM [Phys. Rev. E 106, 014142] in evaluating the shear viscosity of one component plasma. In the extended model, we reconsider the collision distance that is introduced by hard-sphere concept, hence, it is applicable in wide temperature regime rather than a narrower one in which RWSP-VM is applicable. The results of H, C, Al, Fe, Ge, W, and U show that the extended model provides a systematic way to calculate the shear viscosity of arbitrary one component plasma at the densities from about 0.1 to 10 times the normal density (the density at room temperature and 1 standard atmosphere). This work will help to develop viscosity model in wide regime when combined with our previous low temperature viscosity model [AIP Adv. 11, 015043]. △ Less

Submitted 11 January, 2025; v1 submitted 25 May, 2023; originally announced May 2023.

Comments: 10 pages, 5 figures

NASA's Cold Atom Laboratory: Four Years of Quantum Science Operations in Space

Authors: Kamal Oudrhiri, James M. Kohel, Nate Harvey, James R. Kellogg, David C. Aveline, Roy L. Butler, Javier Bosch-Lluis, John L. Callas, Leo Y. Cheng, Arvid P. Croonquist, Walker L. Dula, Ethan R. Elliott, Jose E. Fernandez, Jorge Gonzales, Raymond J. Higuera, Shahram Javidnia, Sandy M. Kwan, Norman E. Lay, Dennis K. Lee, Irena Li, Gregory J. Miles, Michael T. Pauken, Kelly L. Perry, Leah E. Phillips, Diane C. Malarik , et al. (14 additional authors not shown)

Abstract: The Cold Atom Laboratory (CAL) is a quantum facility for studying ultra-cold gases in the microgravity environment of the International Space Station. It enables research in a temperature regime and force-free environment inaccessible to terrestrial laboratories. In the microgravity environment, observation times over a few seconds and temperatures below 100 pK are achievable, unlocking the potent… ▽ More The Cold Atom Laboratory (CAL) is a quantum facility for studying ultra-cold gases in the microgravity environment of the International Space Station. It enables research in a temperature regime and force-free environment inaccessible to terrestrial laboratories. In the microgravity environment, observation times over a few seconds and temperatures below 100 pK are achievable, unlocking the potential to observe new quantum phenomena. CAL launched to the International Space Station in May 2018 and has been operating since then as the world's first multi-user facility for studying ultra\-cold atoms in space. CAL is the first quantum science facility to produce the fifth state of matter called a Bose-Einstein condensate with rubidium-87 and potassium-41 in Earth orbit. We will give an overview of CAL's operational setup, outline its contributions to date, present planned upgrades for the next few years, and consider design choices for microgravity BEC successor-mission planning. △ Less

Submitted 22 May, 2023; originally announced May 2023.

Comments: 13 pages, 7 figures. Presented at SpaceOps 2023 Conference

Spectroscopic Evidence for Interfacial Charge Separation and Recombination in Graphene-MoS2 Vertical Heterostructures

Authors: Yuqing Zou, Zeyu Zhang, Chunwei Wang, Yifan Cheng, Chen Wang, Kaiwen Sun, Wenjie Zhang, Peng Suo, Xian Lin, Hong Ma, Yuxin Leng, Weimin Liu, Juan Du, Guohong Ma

Abstract: Vertical van der Waals (vdW) heterostructures consisting of graphene (Gr) and transition metal dichalcogenides (TMDs) have created a fascinating platform for exploring optical and electronic properties in the two-dimensional limit. Previous study has revealed the ultrafast formation of interfacial excitons and the exciton dynamics in the Gr/MoS2 heterostructure. However, a fully understanding of i… ▽ More Vertical van der Waals (vdW) heterostructures consisting of graphene (Gr) and transition metal dichalcogenides (TMDs) have created a fascinating platform for exploring optical and electronic properties in the two-dimensional limit. Previous study has revealed the ultrafast formation of interfacial excitons and the exciton dynamics in the Gr/MoS2 heterostructure. However, a fully understanding of interfacial charge separation and the subsequent dynamics in graphene-based heterostructures remains elusive. Here, we investigate the carrier dynamics of Gr-MoS2 (including Gr/MoS2 and MoS2/Gr stacking sequences) heterostructures under different photoexcitation energies and stacking sequences by comprehensive ultrafast means, including time-resolved terahertz spectroscopy (TRTS), terahertz emission spectroscopy (TES) and transient absorption spectroscopy (TAS). We demonstrate that the Gr/MoS2 heterostructure generates hot electron injection from graphene into the MoS2 layer with photoexcitation of sub-A-exciton of MoS2, while the interfacial charge separation in the MoS2/Gr could be partially blocked by the electric field of substrate. Charge transfer (CT) occurs in same directions for the Gr-MoS2 heterostructures with opposite stacking order, resulting in the opposite orientations of the interfacial photocurrent, as directly demonstrated by the terahertz (THz) emission. Moreover, we demonstrate that the recombination time of interfacial charges after CT is on a timescale of 18 ps to 1 ns, depending on the density of defect states in MoS2 layer. This work provides a comprehensive and unambiguous picture of the interfacial charge dynamics of graphene-based heterostructures, which is essential for developing Gr/TMDs based optoelectronic devices. △ Less

Submitted 18 April, 2023; originally announced April 2023.

Comments: 23 pages, 5 Figures

Spin crossover transition driven by pressure: Barocaloric applications

Authors: Mario Reis, Yongqiang Cheng, Antonio M. dos Santos

Abstract: This article describes a mean-field theoretical model for Spin-Crossover (SCO) materials and explores its implications. It is based on a simple Hamiltonian that yields the high spin molar fraction as a function of temperature and pressure, as well as a temperature-pressure phase diagram for the SCO transition. In order to test the model, we apply it to the giant Barocaloric Effect (BCE) of the SCO… ▽ More This article describes a mean-field theoretical model for Spin-Crossover (SCO) materials and explores its implications. It is based on a simple Hamiltonian that yields the high spin molar fraction as a function of temperature and pressure, as well as a temperature-pressure phase diagram for the SCO transition. In order to test the model, we apply it to the giant Barocaloric Effect (BCE) of the SCO material [FeL$_2$][BF$_4$]$_2$ and comprehensively analyse its behavior. We found that optical phonons are responsible for 92\% of the total barocaloric entropy change. DFT calculations show that these optical phonons are mainly assigned to the low frequencies modes of vibration ($<400$ cm$^{-1}$), being associated to the Fe coordination. △ Less

Submitted 17 March, 2023; originally announced April 2023.

Comments: 6 figures

Investigating the magneto-elastic properties in FeSn and Fe$_{3}$Sn$_{2}$ flat band metals

Authors: Yu Tao, Luke Daemen, Yongqiang Cheng, Joerg C. Neuefeind, Despina Louca

Abstract: Topological quantum magnets FeSn and Fe$_{3}$Sn$_{2}$ were studied using neutron scattering and first-principles calculations. Both materials are metallic but host dispersionless flat bands with Dirac nodes at the $K$ point in reciprocal space. The local structure determined from the pair density function analysis of the neutron diffraction data provided no evidence for electron localization in bo… ▽ More Topological quantum magnets FeSn and Fe$_{3}$Sn$_{2}$ were studied using neutron scattering and first-principles calculations. Both materials are metallic but host dispersionless flat bands with Dirac nodes at the $K$ point in reciprocal space. The local structure determined from the pair density function analysis of the neutron diffraction data provided no evidence for electron localization in both compounds, consistent with their metallic nature. At the same time, in FeSn, an anomalous suppression in the $c$-axis lattice constant coupled with changes in the phonon spectra were observed across T$_{N}$ indicating the presence of magneto-elastic coupling and spin-phonon interactions. In addition, it was observed that spin waves persisted well above T$_{N}$, suggesting that the in-plane ferromagnetic spin correlations survive at high temperatures. In contrast, no lattice anomaly was observed in Fe$_{3}$Sn$_{2}$. The inelastic signal could be mostly accounted for by phonons, determined from density functional theory, showing typical softening on warming. △ Less

Submitted 17 January, 2023; originally announced January 2023.

Comments: 10 pages, 7 figures

Virtual Node Graph Neural Network for Full Phonon Prediction

Authors: Ryotaro Okabe, Abhijatmedhi Chotrattanapituk, Artittaya Boonkird, Nina Andrejevic, Xiang Fu, Tommi S. Jaakkola, Qichen Song, Thanh Nguyen, Nathan Drucker, Sai Mu, Bolin Liao, Yongqiang Cheng, Mingda Li

Abstract: The structure-property relationship plays a central role in materials science. Understanding the structure-property relationship in solid-state materials is crucial for structure design with optimized properties. The past few years witnessed remarkable progress in correlating structures with properties in crystalline materials, such as machine learning methods and particularly graph neural network… ▽ More The structure-property relationship plays a central role in materials science. Understanding the structure-property relationship in solid-state materials is crucial for structure design with optimized properties. The past few years witnessed remarkable progress in correlating structures with properties in crystalline materials, such as machine learning methods and particularly graph neural networks as a natural representation of crystal structures. However, significant challenges remain, including predicting properties with complex unit cells input and material-dependent, variable-length output. Here we present the virtual node graph neural network to address the challenges. By developing three types of virtual node approaches - the vector, matrix, and momentum-dependent matrix virtual nodes, we achieve direct prediction of $Γ$-phonon spectra and full dispersion only using atomic coordinates as input. We validate the phonon bandstructures on various alloy systems, and further build a $Γ$-phonon database containing over 146,000 materials in the Materials Project. Our work provides an avenue for rapid and high-quality prediction of phonon spectra and bandstructures in complex materials, and enables materials design with superior phonon properties for energy applications. The virtual node augmentation of graph neural networks also sheds light on designing other functional properties with a new level of flexibility. △ Less

Submitted 5 January, 2023; originally announced January 2023.

Comments: 40 pages total, 4 main figures + 25 supplementary figures

Magic angle in thermal conductivity of twisted bilayer graphene

Authors: Yajuan Cheng, Zheyong Fan, Tao Zhang, Masahiro Nomura, Sebastian Volz, Guimei Zhu, Baowen Li, Shiyun Xiong

Abstract: We report a local minimum in thermal conductivity in twisted bilayer graphene (TBG) at the angle of 1.08$^\circ$, which corresponds to the 'magic angle' in the transition of several other reported properties. Within the supercell of a moiré lattice, different stacking modes generate phonon scattering sites which reduce the thermal conductivity of TBG. The thermal magic angle arises from the compet… ▽ More We report a local minimum in thermal conductivity in twisted bilayer graphene (TBG) at the angle of 1.08$^\circ$, which corresponds to the 'magic angle' in the transition of several other reported properties. Within the supercell of a moiré lattice, different stacking modes generate phonon scattering sites which reduce the thermal conductivity of TBG. The thermal magic angle arises from the competition between the delocalization of atomic vibrational amplitudes and stresses on one hand, and the increased AA stacking density on the other hand. The former effect weakens the scattering strength of a single scatterer while the latter one increases the density of scatterers. The combination of these two effects eventually leads to the apparition of the highlighted irregularity in heat conduction. The manifestation of a magic angle, disclosing new thermal mechanisms at nanoscale, further uncovers the unique physics of two-dimensional materials. △ Less

Submitted 13 February, 2023; v1 submitted 31 December, 2022; originally announced January 2023.

Comments: 15 pages, 5 figures

Journal ref: Materials Today Physics, 35 (2023) 101093