Showing 1–33 of 33 results for author: Sheng, H

Discovery of d-orbital order in Tb2CoAl4Ge2

Authors: Zhanyang Hao, Haohao Sheng, Wanru Ma, Wengen Zheng, Yongqing Cai, Zijuan Xie, Wanlin Cheng, Zuowei Liang, Wu Xie, Wenjuan Zhao, Chen Liu, Zhibin Su, Junhao Lin, Liusuo Wu, Zhengtai Liu, Mao Ye, Ji Dai, Massimo Tallarida, Shengtao Cui, Yogendra Kumar, Kenya Shimada, Kenichi Ozawa, Shuki Torii, Kazuhiro Mori, Yue Xie , et al. (10 additional authors not shown)

Abstract: Orbital order describes a quantum state where occupied orbitals line up in a periodic pattern. While orbital physics plays a fundamental and universal role in strongly correlated electron systems, the existence and particularly the band structure fingerprint of orbital order remain a long-standing mystery. Here, we report the discovery of rare earth 5d-orbital order developed by the surface states… ▽ More Orbital order describes a quantum state where occupied orbitals line up in a periodic pattern. While orbital physics plays a fundamental and universal role in strongly correlated electron systems, the existence and particularly the band structure fingerprint of orbital order remain a long-standing mystery. Here, we report the discovery of rare earth 5d-orbital order developed by the surface states of intermetallic compound Tb2CoAl4Ge2. Angle-resolved photoemission spectroscopy reveals characteristic nematic features like Fermi surface deformation and band split. These experimental observations can be described by a ferro-orbital order term in the mean-field Hamiltonian. The structural and magnetic origin of such order is excluded by systematic high-resolution neutron powder diffraction and scanning tunnelling microscopy measurements. Our results provide strong evidence for a pure surface orbital order scenario avoiding complications from structural distortion as in colossal magnetoresistance manganites, magnetic order as in iron-based superconductors, and charge transfer p-orbital order in cuprates. △ Less

Submitted 3 June, 2026; v1 submitted 25 May, 2026; originally announced May 2026.

Comments: 4 main figures, 10 extended figures

Three-dimensional topological ferroelectrics

Authors: Haohao Sheng, Sheng Zhang, Zhong Fang, Hongming Weng, Zhijun Wang

Abstract: Three-dimensional (3D) topological ferroelectric (FE) insulators, in which topological and FE orders naturally coexist, enable field-controlled spintronic devices. In this work, we predict a new structure of bismuth monohalides Bi4Br4 and Bi4I4, denoted $γ$ phase, and demonstrate that it is an ideal 3D topological FE insulator. Systematic first-principles calculations confirm the stability and syn… ▽ More Three-dimensional (3D) topological ferroelectric (FE) insulators, in which topological and FE orders naturally coexist, enable field-controlled spintronic devices. In this work, we predict a new structure of bismuth monohalides Bi4Br4 and Bi4I4, denoted $γ$ phase, and demonstrate that it is an ideal 3D topological FE insulator. Systematic first-principles calculations confirm the stability and synthesizability of $γ$-Bi4X4 (X=Br, I). Although the noncentrosymmetric $γ$ phase crystallizes in the space group $Cmc2_1$ with no symmetry-based classifications/indicators, the nontrivial topology can be characterized by the spin Chern number (SCN). Spin-resolved Wilson loops show the $s_z$ SCN $C_{s_z}=2$, indicating the spin-resolved topology of a 3D quantum spin Hall insulator state. The $z$-direction polarization can be switched by interlayer sliding, requiring only crossing a small energy barrier. Finally, we design an electrically controlled spin-filter device on bilayer films that can generate a switchable spin-polarized current. Combining a single-phase crystal, a sizable band gap, and robust band topology against FE switching, these bismuth monohalides serve as a prototype of intrinsic 3D topological FE insulators, providing an ideal platform for realizing new nonvolatile functionalities in spintronic devices. △ Less

Submitted 26 April, 2026; originally announced April 2026.

Predicting Scale-Up of Metal-Organic Framework Syntheses with Large Language Models

Authors: Peter Walther, Hongrui Sheng, Xinxin Liu, Bin Feng, Reid Coyle, Xinhua Yan, Kyle Smith, Harrison Kayal, Shyam Chand Pal, Zhiling Zheng

Abstract: Scalable synthesis remains the gate between MOF discovery and industrial deployment, as scale-up know-how is fragmented across disparate reports. We introduce ScaleMOF, a literature-mined dataset and a positive-unlabeled learning strategy that fine-tunes large language models. Achieving 93.5% accuracy, this proof-of-concept serves as a literature-grounded ranking tool prioritizing plausible scale-… ▽ More Scalable synthesis remains the gate between MOF discovery and industrial deployment, as scale-up know-how is fragmented across disparate reports. We introduce ScaleMOF, a literature-mined dataset and a positive-unlabeled learning strategy that fine-tunes large language models. Achieving 93.5% accuracy, this proof-of-concept serves as a literature-grounded ranking tool prioritizing plausible scale-up candidates. △ Less

Submitted 8 July, 2026; v1 submitted 21 April, 2026; originally announced April 2026.

Symmetry-Indicated Time-Reversal-Doubled Axion Insulators

Authors: Yue Xie, Haohao Sheng, Quansheng Wu, Xi Dai, Zhong Fang, Hongming Weng, Zhijun Wang

Abstract: The axion insulator exhibits a topological magnetoelectric effect characterized by an axion angle $θ=π$, while the time-reversal-doubled axion insulator (T-DAXI) can be viewed as two copies of an axion insulator related by time-reversal symmetry. In this work, we show that a topological crystalline insulator with nonsymmorphic glide or screw symmetry hosts the T-DAXI phase. The spin-resolved topol… ▽ More The axion insulator exhibits a topological magnetoelectric effect characterized by an axion angle $θ=π$, while the time-reversal-doubled axion insulator (T-DAXI) can be viewed as two copies of an axion insulator related by time-reversal symmetry. In this work, we show that a topological crystalline insulator with nonsymmorphic glide or screw symmetry hosts the T-DAXI phase. The spin-resolved topology of the T-DAXI phase is guaranteed by the nonsymmorphic symmetry invariant $δ_g=1$ or $δ_s=1$ in certain spin directions. In this phase, the partial axion angles are quantized to $π$, and the gapped surfaces realize half-quantized quantum spin Hall states. By applying an external magnetic field along the $z$ direction, electrons with opposite spins accumulate on opposite $(001)$ surfaces, producing a topological spin polarization in real space. When the magnetic field is time-periodic, this leads to an alternating spin current detectable in experiment. Using $\mathrm{\textit{ab initio}}$ calculations, we demonstrate that mixed bismuth monohalides Bi4Br3I and Bi4BrI3 realize the nonsymmorphic T-DAXI with $δ_g=δ_s=1$. Our findings not only reveal the symmetry-enforced T-DAXIs in nonsymmorphic topological crystalline insulators, but also introduce the spin magnetoelectric effect as a novel topological spin response. △ Less

Submitted 1 March, 2026; originally announced March 2026.

Comments: 8 pages, 5 figures, 1 table

Orbital hybridization in graphene-based artificial atoms

Authors: Yue Mao, Hui-Ying Ren, Xiao-Feng Zhou, Hao Sheng, Yun-Hao Xiao, Yu-Chen Zhuang, Ya-Ning Ren, Lin He, Qing-Feng Sun

Abstract: Intraatomic orbital hybridization and interatomic bond formation are the two fundamental processes when real atoms are condensed to form matter. Artificial atoms mimic real atoms by demonstrating discrete energy levels attributable to quantum confinement. As such, they offer a solid-state analogue for simulating intraatomic orbital hybridization and interatomic bond formation. Signatures of intera… ▽ More Intraatomic orbital hybridization and interatomic bond formation are the two fundamental processes when real atoms are condensed to form matter. Artificial atoms mimic real atoms by demonstrating discrete energy levels attributable to quantum confinement. As such, they offer a solid-state analogue for simulating intraatomic orbital hybridization and interatomic bond formation. Signatures of interatomic bond formation has been extensively observed in various artificial atoms. However, direct evidence of the intraatomic orbital hybridization in the artificial atoms remains to be experimentally demonstrated. Here we, for the first time, realize the orbital hybridization in artificial atoms by altering the shape of the artificial atoms. The anisotropy of the confining potential gives rise to the hybridization between quasibound states with different orbital quantum numbers within the artificial atom. These hybridized orbits are directly visualized in real space in our experiment and are well reproduced by both numerical calculations and analytical derivations. Our study opens an avenue for designing artificial matter that cannot be accessed on real atoms through experiments. Moreover, the results obtained inspire the progressive control of quantum states in diverse systems. △ Less

Submitted 4 September, 2025; originally announced September 2025.

Comments: 23 pages, 13 figures (+ supplementary materials 23 pages, 11 figures)

Journal ref: Nature 639, 73 (2025)

Spin-polarized triplet excitonic insulators in Ta3X8 (X=I, Br) monolayers

Authors: Haohao Sheng, Jingyu Yao, Sheng Zhang, Quansheng Wu, Zhong Fang, Xi Dai, Hongming Weng, Zhijun Wang

Abstract: Bose-Einstein condensation of spin-polarized triplet excitons can give rise to an intriguing spin supercurrent, enabling experimental detection of exciton condensation. In this work, we predict that Ta3X8 (X=I, Br) ferromagnetic monolayers are spin-polarized triplet excitonic insulators (EIs), based on the systematic first-principles GW calculations coupled with the Bethe-Salpeter equation (GW+BSE… ▽ More Bose-Einstein condensation of spin-polarized triplet excitons can give rise to an intriguing spin supercurrent, enabling experimental detection of exciton condensation. In this work, we predict that Ta3X8 (X=I, Br) ferromagnetic monolayers are spin-polarized triplet excitonic insulators (EIs), based on the systematic first-principles GW calculations coupled with the Bethe-Salpeter equation (GW+BSE). The single-particle calculations of spin-polarized band structures reveal that these monolayers are bipolar magnetic semiconductors, where the highest valence band and the lowest conduction band possess opposite spin polarization. The two low-energy bands, primarily originating from Ta $d_{z^2}$ orbitals, are almost flat. The same-orbital parity and opposite-spin natures of the band-edge states effectively suppress dielectric screening, promoting the emergence of the EI state. The GW+BSE calculations reveal that the binding energy of the lowest-energy exciton is 1.499 eV for Ta3I8 monolayer and 1.986 eV for Ta3Br8 monolayer. Since both values exceed the respective GW band gaps, these results indicate a strong excitonic instability in these monolayers. A wavefunction analysis confirms that the lowest-energy exciton is a tightly bound Frenkel-like state, exhibiting a spin-polarized triplet nature with $S_z=1$. Our findings establish a valuable material platform for investigating spin-polarized triplet EIs, offering promising potential for spintronic applications. △ Less

Submitted 23 June, 2025; originally announced June 2025.

Journal ref: The Innovation 7(5), 101266 (2026)

Polarization-induced Quantum Spin Hall Insulator and Topological Devices in InAs Quantum Wells

Authors: Chenhao Liang, Sheng Zhang, Haohao Sheng, Quansheng Wu, Hongming Weng, Zhong Fang, Zhijun Wang

Abstract: In this work, we predict the emergence of a quantum spin Hall insulator (QSHI) in conventional semiconductors, specifically InAs quantum wells, driven by a built-in polarization field. We propose QSHI InAs quantum wells as a platform to engineer topological field effect devices. More precisely, we first present a novel topological logic device that operates without a topological phase transition.… ▽ More In this work, we predict the emergence of a quantum spin Hall insulator (QSHI) in conventional semiconductors, specifically InAs quantum wells, driven by a built-in polarization field. We propose QSHI InAs quantum wells as a platform to engineer topological field effect devices. More precisely, we first present a novel topological logic device that operates without a topological phase transition. Subsequently, we design a high-performance topological transistor due to the presence of edge states. Our approach provides a potential framework for harnessing the unique features of QSHI in device design, paving the way for future topological devices. △ Less

Submitted 6 January, 2025; originally announced January 2025.

Axion insulator, Weyl points, quantum anomalous Hall effect and magnetic topological phase transition in Eu3In2As4

Authors: Jingyu Yao, Ruihan Zhang, Sheng Zhang, Haohao Sheng, Youguo Shi, Zhong Fang, Hongming Weng, Zhijun Wang

Abstract: The magnetic topological phases attract much interest, such as the axion insulator, higher-order topology, Weyl semimetals, and the quantum anomalous Hall effect (QAHE). Here, we predict that the axion insulator phase, magnetic Weyl points, and QAHE can be achieved in Eu3In2As4. Recently, the single-crystal Eu3In2As4 has been successfully synthesized, which exhibits an antiferromagnetic (AFM) grou… ▽ More The magnetic topological phases attract much interest, such as the axion insulator, higher-order topology, Weyl semimetals, and the quantum anomalous Hall effect (QAHE). Here, we predict that the axion insulator phase, magnetic Weyl points, and QAHE can be achieved in Eu3In2As4. Recently, the single-crystal Eu3In2As4 has been successfully synthesized, which exhibits an antiferromagnetic (AFM) ground state. Our first-principles calculations show that it lies on the phase boundary between multiple magnetic topological phases, and the magnetic anisotropy is weak, with an energy difference less than 1 meV. In the AFM state, it can be tuned to an axion insulator by tensile strain. The quantized axion angle $θ= π$ and the magnetic higher-order topology are characterized by the parity index $Z_4 = 2$. By applying an external magnetic field, the induced ferromagnetic (FM) state becomes an ideal magnetic topological semimetal with a single pair of Weyl points or a nodal ring. The QAHE can be achieved in FM multilayer films of Eu3In2As4 on a magnetic insulating substrate. △ Less

Submitted 22 December, 2024; originally announced December 2024.

Comments: 7 pages, 4 figures, submitted. The experimental results can be found in arXiv:2403:07637 (2024)

Journal ref: Phys. Rev. B 111, L041117 (2025)

Evidence for Two-dimensional Weyl Fermions in Air-Stable Monolayer PtTe$_{1.75}$

Authors: Zhihao Cai, Haijun Cao, Haohao Sheng, Xuegao Hu, Zhenyu Sun, Qiaoxiao Zhao, Jisong Gao, Shin-ichiro Ideta, Kenya Shimada, Jiawei Huang, Peng Cheng, Lan Chen, Yugui Yao, Sheng Meng, Kehui Wu, Zhijun Wang, Baojie Feng

Abstract: The Weyl semimetals represent a distinct category of topological materials wherein the low-energy excitations appear as the long-sought Weyl fermions. Exotic transport and optical properties are expected because of the chiral anomaly and linear energy-momentum dispersion. While three-dimensional Weyl semimetals have been successfully realized, the quest for their two-dimensional (2D) counterparts… ▽ More The Weyl semimetals represent a distinct category of topological materials wherein the low-energy excitations appear as the long-sought Weyl fermions. Exotic transport and optical properties are expected because of the chiral anomaly and linear energy-momentum dispersion. While three-dimensional Weyl semimetals have been successfully realized, the quest for their two-dimensional (2D) counterparts is ongoing. Here, we report the realization of 2D Weyl fermions in monolayer PtTe$_{1.75}$, which has strong spin-orbit coupling and lacks inversion symmetry, by combined angle-resolved photoemission spectroscopy, scanning tunneling microscopy, second harmonic generation, X-ray photoelectron spectroscopy measurements, and first-principles calculations. The giant Rashba splitting and band inversion lead to the emergence of three pairs of critical Weyl cones. Moreover, monolayer PtTe$_{1.75}$ exhibits excellent chemical stability in ambient conditions, which is critical for future device applications. The discovery of 2D Weyl fermions in monolayer PtTe$_{1.75}$ opens up new possibilities for designing and fabricating novel spintronic devices. △ Less

Submitted 12 December, 2024; v1 submitted 30 July, 2024; originally announced July 2024.

Journal ref: Nano Lett. 24, 10237-10243 (2024)

Excitonic Instability in Ta2Pd3Te5 Monolayer

Authors: Jingyu Yao, Haohao Sheng, Ruihan Zhang, Rongtian Pang, Jin-Jian Zhou, Quansheng Wu, Hongming Weng, Xi Dai, Zhong Fang, Zhijun Wang

Abstract: By systematic theoretical calculations, we have revealed an excitonic insulator (EI) in the Ta2Pd3Te5 monolayer. The bulk Ta2Pd3Te5 is a van der Waals (vdW) layered compound, whereas the vdW layer can be obtained through exfoliation or molecular-beam epitaxy. First-principles calculations show that the monolayer is a nearly zero-gap semiconductor with the modified Becke-Johnson functional. Due to… ▽ More By systematic theoretical calculations, we have revealed an excitonic insulator (EI) in the Ta2Pd3Te5 monolayer. The bulk Ta2Pd3Te5 is a van der Waals (vdW) layered compound, whereas the vdW layer can be obtained through exfoliation or molecular-beam epitaxy. First-principles calculations show that the monolayer is a nearly zero-gap semiconductor with the modified Becke-Johnson functional. Due to the same symmetry of the band-edge states, the two-dimensional polarization $α_{2D}$ would be finite as the band gap goes to zero, allowing for an EI state in the compound. Using the first-principles many-body perturbation theory, the GW plus Bethe-Salpeter equation calculation reveals that the exciton binding energy is larger than the single-particle band gap, indicating the excitonic instability. The computed phonon spectrum suggests that the monolayer is dynamically stable without lattice distortion. Our findings suggest that the Ta2Pd3Te5 monolayer is an excitonic insulator without structural distortion. △ Less

Submitted 23 August, 2024; v1 submitted 2 January, 2024; originally announced January 2024.

Comments: 6 pages, 4 figures

Journal ref: Chinese Physics Letters 41, 097101 (2024)

Relativistic artificial molecules with tunable coupling and orbitals

Authors: Xiao-Feng Zhou, Yu-Chen Zhuang, Mo-Han Zhang, Hao Sheng, Qing-Feng Sun, Lin He

Abstract: In a molecule formed by two atoms, energy difference between bonding and antibonding orbitals should depend on distance of the two atoms. However, exploring molecular orbitals of two natural atoms with tunable distance has remained an outstanding experimental challenge. Graphene quantum dots (GQDs) can be viewed as relativistic artificial atoms, therefore, offering a unique platform to study molec… ▽ More In a molecule formed by two atoms, energy difference between bonding and antibonding orbitals should depend on distance of the two atoms. However, exploring molecular orbitals of two natural atoms with tunable distance has remained an outstanding experimental challenge. Graphene quantum dots (GQDs) can be viewed as relativistic artificial atoms, therefore, offering a unique platform to study molecular physics. Here, through scanning tunneling microscope (STM), we create and directly visualize the formation process of relativistic artificial molecules based on two coupled GQDs with tunable distance. Our study indicates that energy difference between the bonding and antibonding orbitals of the lowest quasibound state increases linearly with inverse distance of the two GQDs due to the relativistic nature of the artificial molecule. For quasibound states with higher orbital momenta, the coupling between these states leads to half-energy spacing of the confined states because the length of the molecular-like orbit is about twice that of the atomic-like orbit. Evolution from ring-like whispering-gallery modes in the artificial atoms to figure-eight orbitals in the artificial molecules is directly imaged. The ability to resolve the coupling and orbitals of the relativistic artificial molecule at the nanoscale level yields insights into the behavior of quantum-relativistic matter. △ Less

Submitted 24 December, 2023; originally announced December 2023.

Evidence for an Excitonic Insulator State in Ta$_2$Pd$_3$Te$_5$

Authors: Jierui Huang, Bei Jiang, Jingyu Yao, Dayu Yan, Xincheng Lei, Jiacheng Gao, Zhaopeng Guo, Feng Jin, Yupeng Li, Zhenyu Yuan, Congcong Chai, Haohao Sheng, Mojun Pan, Famin Chen, Junde Liu, Shunye Gao, Gexing Qu, Bo Liu, Zhicheng Jiang, Zhengtai Liu, Xiaoyan Ma, Shiming Zhou, Yaobo Huang, Chenxia Yun, Qingming Zhang , et al. (8 additional authors not shown)

Abstract: The excitonic insulator (EI) is an exotic ground state of narrow-gap semiconductors and semimetals arising from spontaneous condensation of electron-hole pairs bound by attractive Coulomb interaction. Despite research on EIs dating back to half a century ago, their existence in real materials remains a subject of ongoing debate. In this study, through systematic experimental and theoretical invest… ▽ More The excitonic insulator (EI) is an exotic ground state of narrow-gap semiconductors and semimetals arising from spontaneous condensation of electron-hole pairs bound by attractive Coulomb interaction. Despite research on EIs dating back to half a century ago, their existence in real materials remains a subject of ongoing debate. In this study, through systematic experimental and theoretical investigations, we provide evidence for the existence of an EI ground state in a van der Waals compound Ta$_2$Pd$_3$Te$_5$. Density-functional-theory calculations suggest that it is a semimetal with a small band overlap, whereas various experiments exhibit an insulating ground state with a clear band gap. Upon incorporating electron-hole Coulomb interaction into our calculations, we obtain an EI phase where the electronic symmetry breaking opens a many-body gap. Angle-resolved photoemission spectroscopy measurements exhibit that the band gap is closed with a significant change in the dispersions as the number of thermally excited charge carriers becomes sufficiently large in both equilibrium and nonequilibrium states. Structural measurements reveal a slight breaking of crystal symmetry with exceptionally small lattice distortion in the insulating state, which cannot account for the significant gap opening. Therefore, we attribute the insulating ground state with a gap opening in Ta$_2$Pd$_3$Te$_5$ to exciton condensation, where the coupling to the symmetry-breaking electronic state induces a subtle change in the crystal structure. △ Less

Submitted 14 March, 2024; v1 submitted 22 December, 2023; originally announced December 2023.

Comments: 10 pages, 5 figures

Journal ref: Phys. Rev. X 14, 011046, 2024

VASP2KP: kp models and Lande g-factors from ab initio calculations

Authors: Sheng Zhang, Haohao Sheng, Zhi-Da Song, Chenhao Liang, Yi Jiang, Song Sun, Quansheng Wu, Hongming Weng, Zhong Fang, Xi Dai, Zhijun Wang

Abstract: The $k\cdot p$ method is significant in condensed matter physics for the compact and analytical Hamiltonian. In the presence of magnetic field, it is described by the effective Zeeman's coupling Hamiltonian with Landé $ g $-factors. Here, we develop an open-source package VASP2KP (including two parts: vasp2mat and mat2kp) to compute $k\cdot p$ parameters and Landé $g$-factors directly from the wav… ▽ More The $k\cdot p$ method is significant in condensed matter physics for the compact and analytical Hamiltonian. In the presence of magnetic field, it is described by the effective Zeeman's coupling Hamiltonian with Landé $ g $-factors. Here, we develop an open-source package VASP2KP (including two parts: vasp2mat and mat2kp) to compute $k\cdot p$ parameters and Landé $g$-factors directly from the wavefunctions provided by the density functional theory (DFT) as implemented in Vienna ab initio Simulation Package (VASP). First, we develop a VASP patch vasp2mat to compute matrix representations of the generalized momentum operator $ \mathbf{\hatπ}=\mathbf{\hat{p}}+\frac{1}{2mc^2}\left(\mathbf{\hat{s}}\times\nabla V(\mathbf{r})\right) $, spin operator $\mathbf{\hat{s}}$, time reversal operator $\hat{T}$ and crystalline symmetry operators $\hat{R}$ on the DFT wavefunctions. Second, we develop a python code mat2kp to obtain the unitary transformation $U$ that rotates the degenerate DFT basis towards the standard basis, and then automatically compute the $k\cdot p$ parameters and $g$-factors. The theory and the methodology behind VASP2KP are described in detail. The matrix elements of the operators are derived comprehensively and computed correctly within the projector augmented wave method. We apply this package to some materials, e.g., Bi$_2$Se$_3$, Na$_3$Bi, Te, InAs and 1H-TMD monolayers. The obtained effective model's dispersions are in good agreement with the DFT data around the specific wave vector, and the $g$-factors are consistent with experimental data. The VASP2KP package is available at https://github.com/zjwang11/VASP2KP. △ Less

Submitted 14 December, 2023; originally announced December 2023.

Journal ref: Chin. Phys. Lett. 40, 127101 (2023)

Majorana corner modes in unconventional monolayers of the 1T-PtSe2 family

Authors: Haohao Sheng, Yue Xie, Quansheng Wu, Hongming Weng, Xi Dai, B. Andrei Bernevig, Zhong Fang, Zhijun Wang

Abstract: In this work, we propose that Majorana zero modes can be realized at the corners of the two-dimensional unconventional insulator. We demonstrate that 1T-PtSe2 is a symmetry indicator-free (SI-free) unconventional insulator, originating from orbital hybridization between Pt $d$ and Se $p_{x,y}$ states. The kind of SI-free unconventionality has no symmetry eigenvalue indication. Instead, it is diagn… ▽ More In this work, we propose that Majorana zero modes can be realized at the corners of the two-dimensional unconventional insulator. We demonstrate that 1T-PtSe2 is a symmetry indicator-free (SI-free) unconventional insulator, originating from orbital hybridization between Pt $d$ and Se $p_{x,y}$ states. The kind of SI-free unconventionality has no symmetry eigenvalue indication. Instead, it is diagnosed directly by the Wannier charge centers by using the one-dimensional Wilson loop method. The obstructed edge states exhibit strong anisotropy and large Rashba splitting. By introducing superconducting proximity and an external magnetic field, the Majorana corner modes can be obtained in the 1T-PtSe2 monolayer. In the end, we construct a two-Bernevig-Hughes-Zhang model with anisotropy to capture the Majorana physics. △ Less

Submitted 25 July, 2024; v1 submitted 23 August, 2023; originally announced August 2023.

Journal ref: Phys. Rev. B 110, 035151 (2024)

Interfering Josephson diode effect in Ta2Pd3Te5 asymmetric edge interferometer

Authors: Yupeng Li, Dayu Yan, Yu Hong, Haohao Sheng, Anqi Wang, Ziwei Dou, Xingchen Guo, Xiaofan Shi, Zikang Su, Zhaozheng Lyu, Tian Qian, Guangtong Liu, Fanming Qu, Kun Jiang, Zhijun Wang, Youguo Shi, Zhu-An Xu, Jiangping Hu, Li Lu, Jie Shen

Abstract: Edge states in topological systems have attracted great interest due to their robustness and linear dispersions. Here a superconducting-proximitized edge interferometer is engineered on a topological insulator Ta2Pd3Te5 with asymmetric edges to realize the interfering Josephson diode effect (JDE), which hosts many advantages, such as the high efficiency as much as 73% at tiny applied magnetic fiel… ▽ More Edge states in topological systems have attracted great interest due to their robustness and linear dispersions. Here a superconducting-proximitized edge interferometer is engineered on a topological insulator Ta2Pd3Te5 with asymmetric edges to realize the interfering Josephson diode effect (JDE), which hosts many advantages, such as the high efficiency as much as 73% at tiny applied magnetic fields with an ultra-low switching power around picowatt. As an important element to induce such JDE, the second-order harmonic in the current-phase relation is also experimentally confirmed by half-integer Shapiro steps. The interfering JDE is also accompanied by the antisymmetric second harmonic transport, which indicates the corresponding asymmetry in the interferometer, as well as the polarity of JDE. This edge interferometer offers an effective method to enhance the performance of JDE, and boosts great potential applications for future superconducting quantum devices. △ Less

Submitted 22 October, 2024; v1 submitted 14 June, 2023; originally announced June 2023.

Comments: 31 pages,16 figures

Journal ref: Nature Communications 15, 9031 (2024)

Superconductivity in unconventional metals

Authors: Zhilong Yang, Haohao Sheng, Zhaopeng Guo, Ruihan Zhang, Quansheng Wu, Hongming Weng, Zhong Fang, Zhijun Wang

Abstract: Based on first-principles calculations, we demonstrate that 1H/2H-phase transition metal dichalcogenides MX2 (M=Nb,Ta; X=S,Se,Te) are unconventional metals, which have an empty-site band of $A_1'@1e$ elementary band representation at the Fermi level. The computed phonon dispersions indicate the stability of the system at high temperatures, while the presence of the soft phonon mode suggests a phas… ▽ More Based on first-principles calculations, we demonstrate that 1H/2H-phase transition metal dichalcogenides MX2 (M=Nb,Ta; X=S,Se,Te) are unconventional metals, which have an empty-site band of $A_1'@1e$ elementary band representation at the Fermi level. The computed phonon dispersions indicate the stability of the system at high temperatures, while the presence of the soft phonon mode suggests a phase transition to the charge density wave state at low temperatures. Based on the Bardeen-Cooper-Schrieffer theory and computed electron-phonon coupling, our calculations show that the superconductivity (SC) in NbSe2 is mainly attributed to the soft phonon mode due to the half filling of the empty-site band. Accordingly, the SC has been predicted in unconventional metals TaNS monolayer and 2H-TaN2 bulk with computed $T_C=$ 10 K and 26 K respectively. These results demonstrate that the unconventional metals with partial filling of the empty-site band offer an attractive platform to search for superconductors. △ Less

Submitted 18 March, 2024; v1 submitted 14 June, 2023; originally announced June 2023.

Comments: 5 pages, 5 figures,42 references

Journal ref: npj Computational Materials 10, 25 (2024)

Unconventional phonon spectra and obstructed edge phonon modes

Authors: Ruihan Zhang, Haohao Sheng, Junze Deng, Zhong Fang, Zhilong Yang, Zhijun Wang

Abstract: Based on the elementary band representations (EBR), some topologically trivial materials are classified as unconventional ones (obstructed atomic limit), where the EBR decomposition of electronic states is not consistent with the atomic valence-electron band representations. In the work, we identify that the unconventional nature can also exist in phonon spectra, where the EBR decomposition of the… ▽ More Based on the elementary band representations (EBR), some topologically trivial materials are classified as unconventional ones (obstructed atomic limit), where the EBR decomposition of electronic states is not consistent with the atomic valence-electron band representations. In the work, we identify that the unconventional nature can also exist in phonon spectra, where the EBR decomposition of the phonon modes is not consistent with atomic vibration band representations (ABR). The unconventionality has two types: type I is on an empty site; type II is on an atom site with non-atomic vibration orbitals. Our detailed calculations show that black phosphorus (BP) and 1H-MoSe2 have unconventional both phonon spectra and electronic band structures. The BP has the type-I unconventional phonon spectrum, while 1H-MoSe2 has the type-II one. The obstructed phonon modes are obtained for two types of unconventional phonon spectra. △ Less

Submitted 18 March, 2024; v1 submitted 16 May, 2023; originally announced May 2023.

Comments: 5 pages, 5 figures

Journal ref: Sci. China-Phys. Mech. Astron. 67, 246811 (2024)

Ferroelectric metals in 1T/1T'-phase transition metal dichalcogenide MTe2 bilayers (M = Pt, Pd, and Ni)

Authors: Haohao Sheng, Zhong Fang, Zhijun Wang

Abstract: Ferroelectricity and metallicity cannot coexist due to the screening effect of conducting electrons, and a large number of stable monolayers with 1T/1T$^{\prime}$ phase lack spontaneous polarization due to inversion symmetry. In this work, we have constructed the $π$-bilayer structures for transition metal dichalcogenides ($M$Te$_2,M =$ Pt, Pd, and Ni) with van der Waals stacking, where two monola… ▽ More Ferroelectricity and metallicity cannot coexist due to the screening effect of conducting electrons, and a large number of stable monolayers with 1T/1T$^{\prime}$ phase lack spontaneous polarization due to inversion symmetry. In this work, we have constructed the $π$-bilayer structures for transition metal dichalcogenides ($M$Te$_2,M =$ Pt, Pd, and Ni) with van der Waals stacking, where two monolayers are related by $C_{2z}$ rotation, and have demonstrated that these $π$ bilayers are typical ferroelectric metals (FEMs). The $π$-bilayer structure widely exists in nature, such as 1T$^{\prime}$/T$_d$-TMD, $α$-Bi$_4$Br$_4$. The computed vertical polarization of PtTe$_2$ and MoTe$_2$ $π$ bilayers are 0.46 and 0.25 pC/m, respectively. We show that the switching of polarization can be realized through interlayer sliding, which only requires crossing a low energy barrier. The interlayer charge transfer is the source of both vertical polarization and metallicity, and these properties are closely related to the spatially extended Te-$p_z$ orbital. Finally, we reveal that electron doping can significantly adjust the vertical polarization of these FEMs in both magnitude and direction. Our findings introduce a class of FEMs, which have potential applications in functional nanodevices such as ferroelectric tunneling junction and nonvolatile ferroelectric memory. △ Less

Submitted 22 September, 2023; v1 submitted 24 March, 2023; originally announced March 2023.

Journal ref: Physical Review B 108, 104109 (2023)

Magnetic field filtering of the hinge supercurrent in unconventional metal NiTe$_2$-based Josephson junctions

Authors: Tian Le, Ruihan Zhang, Changcun Li, Ruiyang Jiang, Haohao Sheng, Linfeng Tu, Xuewei Cao, Zhaozheng Lyu, Jie Shen, Guangtong Liu, Fucai Liu, Zhijun Wang, Li Lu, Fanming Qu

Abstract: Topological materials with boundary (surface/edge/hinge) states have attracted tremendous research interest. Besides, unconventional (obstructed atomic) materials have recently drawn lots of attention owing to their obstructed boundary states. Experimentally, Josephson junctions (JJs) constructed on materials with boundary states produce the peculiar boundary supercurrent, which was utilized as a… ▽ More Topological materials with boundary (surface/edge/hinge) states have attracted tremendous research interest. Besides, unconventional (obstructed atomic) materials have recently drawn lots of attention owing to their obstructed boundary states. Experimentally, Josephson junctions (JJs) constructed on materials with boundary states produce the peculiar boundary supercurrent, which was utilized as a powerful diagnostic approach. Here, we report the observations of conspicuous hinge supercurrent in NiTe$_2$-based JJs. Particularly, applying an in-plane magnetic field along the Josephson current could rapidly suppress the bulk supercurrent and retain the nearly pure hinge supercurrent, namely the magnetic field filtering of supercurrent. Further systematic comparative analysis and theoretical calculations demonstrate the existence of unconventional nature and obstructed hinge states in NiTe$_2$. Our results revealed the unique hinge states in unconventional metal NiTe$_2$, and demonstrated in-plane magnetic field as an efficient method to filter out the futile bulk contributions and thereby to highlight the hinge states hidden in topological/unconventional materials. △ Less

Submitted 9 March, 2023; originally announced March 2023.

Comments: 20+6 pages,6+5 figures

Journal ref: Nature Communications 15, 2785 (2024)

Large spin Hall conductivity and excellent hydrogen evolution reaction activity in unconventional PtTe1.75 monolayer

Authors: Dexi Shao, Junze Deng, Haohao Sheng, Ruihan Zhang, Hongming Weng, Zhong Fang, Xing-Qiu Chen, Yan Sun, Zhijun Wang

Abstract: Two-dimensional (2D) materials have gained lots of attention due to the potential applications. In this work, we propose that based on first-principles calculations, the (2$\times$2) patterned PtTe$_2$ monolayer with kagome lattice formed by the well-ordered Te vacancy (PtTe$_{1.75}$) hosts large spin Hall conductivity (SHC) and excellent hydrogen evolution reaction (HER) activity. The unconventio… ▽ More Two-dimensional (2D) materials have gained lots of attention due to the potential applications. In this work, we propose that based on first-principles calculations, the (2$\times$2) patterned PtTe$_2$ monolayer with kagome lattice formed by the well-ordered Te vacancy (PtTe$_{1.75}$) hosts large spin Hall conductivity (SHC) and excellent hydrogen evolution reaction (HER) activity. The unconventional nature relies on the $A1@1b$ band representation (BR) of the highest valence band without SOC. The large SHC comes from the Rashba spin-orbit coupling (SOC) in the noncentrosymmetric structure induced by the Te vacancy. Even though it has a metallic SOC band structure, the $\mathbb Z_2$ invariant is well defined due to the existence of the direct band gap and is computed to be nontrivial. The calculated SHC is as large as 1.25$\times 10^3 \frac{\hbar}{e} (Ω~cm)^{-1}$ at the Fermi level ($E_F$). By tuning the chemical potential from $E_F-0.3$ to $E_F+0.3$ eV, it varies rapidly and monotonically from $-1.2\times 10^3$ to 3.1$\times 10^3 \frac{\hbar}{e} (Ω~cm)^{-1}$. In addition, we also find the Te vacancy in the patterned monolayer can induce excellent HER activity. Our results not only offer a new idea to search 2D materials with large SHC, i.e., by introducing inversion-symmetry breaking vacancies in large SOC systems, but also provide a feasible system with tunable SHC (by applying gate voltage) and excellent HER activity. △ Less

Submitted 15 August, 2022; originally announced August 2022.

Journal ref: Research 6, 0042 (2023)

Structural Origin of Boson Peak in Glasses

Authors: Yuan Tian, Xiaozhe Shen, Qingyang Gao, Zhen Lu, Jie Yang, Qiang Zheng, Christopher Florencio Aleman, Duan Luo, Alexander Hume Reid, Bin Xu, Michael Falk, Howard Sheng, Jianming Cao, Xijie Wang, Mingwei Chen

Abstract: Boson peak, the excess low energy excitations in the terahertz regime, is one of the most unique features of disordered systems and has been linked to many anomalous properties of glass materials. The nature and structural origin of the boson peak remain elusive and have been debated for more than a half century mainly due to the lack of real-time and real-space experimental insights of the dynami… ▽ More Boson peak, the excess low energy excitations in the terahertz regime, is one of the most unique features of disordered systems and has been linked to many anomalous properties of glass materials. The nature and structural origin of the boson peak remain elusive and have been debated for more than a half century mainly due to the lack of real-time and real-space experimental insights of the dynamic phenomenon. In this work we employed femtosecond MeV ultrafast electron diffraction to characterize the atomic dynamics of metallic glasses in real time. The experiment reveals collective atomic oscillations, presented in elastic electron scattering and atomic pair distribution functions, within the boson peak frequency range of 1.0-1.8 THz in both reciprocal and real space. It was found that the oscillation frequency has reciprocal dependence on interatomic pair distances and the corresponding wave velocity experimentally affirms the transverse acoustic wave nature of the boson peak. The observed strong correlation between THz acoustic vibrations and coherent electron scattering provides compelling evidence that the boson peak originates from the collective transverse vibrational modes of structurally ordered atoms in the disordered system. △ Less

Submitted 19 November, 2021; originally announced November 2021.

Effects of minor alloying on the mechanical properties of Al based metallic glasses

Authors: Vrishank Jambur, Chaiyapat Tangpatjaroen, Jianqi Xi, Jirameth Tarnsangpradit, Meng Gao, Howard Sheng, John Perepezko, Izabela Szlufarska

Abstract: Minor alloying is widely used to control mechanical properties of metallic glasses (MGs). The present understanding of how a small amount of alloying element changes strength is that the additions lead to more efficient packing of atoms and increased local topological order, which then increases the barrier for shear transformations and the resistance to plastic deformation. Here, we discover that… ▽ More Minor alloying is widely used to control mechanical properties of metallic glasses (MGs). The present understanding of how a small amount of alloying element changes strength is that the additions lead to more efficient packing of atoms and increased local topological order, which then increases the barrier for shear transformations and the resistance to plastic deformation. Here, we discover that minor alloying can improve the strength of MGs by increasing the chemical bond strength alone and show that this strengthening is distinct from changes in topological order. The results were obtained using Al-Sm based MGs minor alloyed with transition metals (TMs). The addition of TMs led to an increase in the hardness of the MGs which, however, could not be explained based on changes in the topological ordering in the structure. Instead we found that it was the strong bonding between TM and Al atoms which led to a higher resistance to shear transformation that resulted in higher strength and hardness, while the topology around the TM atoms had no influence on their mechanical response. This finding demonstrates that the effects of topology and chemistry on mechanical properties of MGs are independent of each other and that they should be understood as separate, sometimes competing mechanisms of strengthening. This understanding lays a foundation for design of MGs with improved mechanical properties. △ Less

Submitted 26 August, 2021; originally announced August 2021.

Journal ref: Journal of Alloys and Compounds, vol. 854, p. 157266, Feb. 2021

Quantum Spin Hall Effect in Ta$_2$M$_3$Te$_5$ (M = Pd, Ni)

Authors: Zhaopeng Guo, Dayu Yan, Haohao Sheng, Simin Nie, Youguo Shi, Zhijun Wang

Abstract: Quantum spin Hall (QSH) effect with great promise for the potential application in spintronics and quantum computing has attracted extensive research interest from both theoretical and experimental researchers. Here, we predict monolayer Ta$_2$Pd$_3$Te$_5$ can be a QSH insulator based on first-principles calculations. The interlayer binding energy in the layered van der Waals compound Ta$_2$Pd… ▽ More Quantum spin Hall (QSH) effect with great promise for the potential application in spintronics and quantum computing has attracted extensive research interest from both theoretical and experimental researchers. Here, we predict monolayer Ta$_2$Pd$_3$Te$_5$ can be a QSH insulator based on first-principles calculations. The interlayer binding energy in the layered van der Waals compound Ta$_2$Pd$_3$Te$_5$ is 19.6 meV/A$^2$; thus, its monolayer/thin-film structures could be readily obtained by exfoliation. The band inversion near the Fermi level ($E_F$) is an intrinsic characteristic, which happens between Ta-$5d$ and Pd-$4d$ orbitals without spin-orbit coupling (SOC). The SOC effect opens a global gap and makes the system a QSH insulator. With the $d$-$d$ band-inverted feature, the nontrivial topology in monolayer Ta$_2$Pd$_3$Te$_5$ is characterized by the time-reversal topological invariant $\mathbb Z_2=1$, which is computed by the one-dimensional (1D) Wilson loop method as implemented in our first-principles calculations. The helical edge modes are also obtained using surface Green's function method. Our calculations show that the QSH state in Ta$_2M_3$Te$_5$ ($M=$ Pd, Ni) can be tuned by external strain. These monolayers and thin films provide feasible platforms for realizing QSH effect as well as related devices. △ Less

Submitted 10 December, 2020; originally announced December 2020.

Comments: 11 pages, 12 figures, 1 table

Journal ref: Phys. Rev. B 103, 115145 (2021)

Robust Formation of Ultrasmall Room-Temperature Neél Skyrmions in Amorphous Ferrimagnets from Atomistic Simulations

Authors: Chung Ting Ma, Yunkun Xie, Howard Sheng, Avik W. Ghosh, S. Joseph Poon

Abstract: Neél skyrmions originate from interfacial Dzyaloshinskii Moriya interaction (DMI). Recent studies have explored using thin-film ferromagnets and ferrimagnets to host Neél skyrmions for spintronic applications. However, it is unclear if ultrasmall (10 nm or less) skyrmions can ever be stabilized at room temperature for practical use in high density parallel racetrack memories. While thicker films c… ▽ More Neél skyrmions originate from interfacial Dzyaloshinskii Moriya interaction (DMI). Recent studies have explored using thin-film ferromagnets and ferrimagnets to host Neél skyrmions for spintronic applications. However, it is unclear if ultrasmall (10 nm or less) skyrmions can ever be stabilized at room temperature for practical use in high density parallel racetrack memories. While thicker films can improve stability, DMI decays rapidly away from the interface. As such, spins far away from the interface would experience near-zero DMI, raising question on whether or not unrealistically large DMI is needed to stabilize skyrmions, and whether skyrmions will also collapse away from the interface. To address these questions, we have employed atomistic stochastic Landau-Lifshitz-Gilbert simulations to investigate skyrmions in amorphous ferrimagnetic GdCo. It is revealed that a significant reduction in DMI below that of Pt is sufficient to stabilize ultrasmall skyrmions even in films as thick as 15 nm. Moreover, skyrmions are found to retain a uniform columnar shape across the film thickness despite the decaying DMI. Our results show that increasing thickness and reducing DMI in GdCo can further reduce the size of skyrmions at room temperature, which is crucial to improve the density and energy efficiency in skyrmion based devices. △ Less

Submitted 1 July, 2019; originally announced July 2019.

Comments: 16 pages, to appear in Scientific Reports(2019)

Strengthening in multi-principal element alloys with local-chemical-order roughened dislocation pathways

Authors: Qing-Jie Li, Howard Sheng, Evan Ma

Abstract: High-entropy alloys (HEAs) were presumed to have a configurational entropy as high as that of an ideally mixed solid solution (SS) of multiple elements in near-equal proportions. However, enthalpic interactions inevitably render such chemically disordered SSs rare and metastable, except at very high temperatures. Here we highlight a structural feature that sets these concentrated SSs apart from tr… ▽ More High-entropy alloys (HEAs) were presumed to have a configurational entropy as high as that of an ideally mixed solid solution (SS) of multiple elements in near-equal proportions. However, enthalpic interactions inevitably render such chemically disordered SSs rare and metastable, except at very high temperatures. Here we highlight a structural feature that sets these concentrated SSs apart from traditional solvent-solute ones: the HEAs possess a wide variety of (local) chemical ordering (LCO). Our atomistic simulations employing an empirical interatomic potential for NiCoCr reveal that the LCO of the multi-principal-element SS changes conspicuously with alloy processing conditions, producing a wide range of generalized planar fault energy in terms of both its sample-average and spatial variation. We further demonstrate that the LCO heightens the ruggedness of the energy landscape and raises activation barriers governing dislocation activities. This not only influences the selection of dislocation pathways in slip, faulting, twinning, and martensitic transformation, but also increases the lattice friction to dislocation motion via a new mechanism of nanoscale segment detrapping that elevates the mechanical strength. All these open a vast playground not accessible to ground-state SSs or intermetallics, offering rich opportunities to tune properties. △ Less

Submitted 16 April, 2019; originally announced April 2019.

Atomistic manipulation of reversible oxidation and reduction in Ag by electron beam

Authors: Huaping Sheng, He Zheng, Lifen Wang, Shuangfeng Jia, Huihui Liu, Maria K. Y. Chan, Tijana Rajh, Jianbo Wang, Jianguo Wen

Abstract: Employing electrons for direct control of nanoscale reaction is highly desirable since it provides fabrication of nanostructures with different properties at atomic resolution and with flexibility of dimension and location. Here, applying in situ transmission electron microscopy, we show the reversible oxidation and reduction kinetics in Ag, well controlled by changing the dose rate of electron be… ▽ More Employing electrons for direct control of nanoscale reaction is highly desirable since it provides fabrication of nanostructures with different properties at atomic resolution and with flexibility of dimension and location. Here, applying in situ transmission electron microscopy, we show the reversible oxidation and reduction kinetics in Ag, well controlled by changing the dose rate of electron beam. Aberration-corrected high-resolution transmission electron microscopy observation reveals that O atoms are preferably inserted and extracted along the {111} close-packed planes of Ag, leading to the nucleation and decomposition of nanoscale Ag2O islands on the Ag substrate. By controlling electron beam size and dose rate, we demonstrated fabrication of an array of 3 nm Ag2O nanodots in an Ag matrix. Our results open up a new pathway to manipulate atomistic reaction with electron beam towards the precise fabrication of nanostructures for device applications. △ Less

Submitted 28 March, 2019; originally announced March 2019.

Skyrmion Formation Induced by Antiferromagnetic-enhanced Interfacial Dzyaloshinskii Moriya Interaction

Authors: Marco Chung Ting Ma, Yunkun Xie, Howard Sheng, S. Joseph Poon, Avik Ghosh

Abstract: Neél skyrmions originate from interfacial Dzyaloshinskii Moriya interaction (DMI). Recent studies have explored using ferromagnet to host Neél skyrmions for device applications. However, challenges remain to reduce the size of skyrmion to near 10 nm. Amorphous rare-earth-transitional-metal ferrimagnets are attractive alternative materials to obtain ultrasmall skyrmions at room temperature. Their i… ▽ More Neél skyrmions originate from interfacial Dzyaloshinskii Moriya interaction (DMI). Recent studies have explored using ferromagnet to host Neél skyrmions for device applications. However, challenges remain to reduce the size of skyrmion to near 10 nm. Amorphous rare-earth-transitional-metal ferrimagnets are attractive alternative materials to obtain ultrasmall skyrmions at room temperature. Their intrinsic perpendicular magnetic anisotropy and tunable magnetization provides a favorable environment for skyrmion stability. In this work, we employ atomistic stochastic Landau-Liftshitz-Gilbert (LLG) algorithm to investigate skyrmions in GdFe within the interfacial DMI model. Despite the rapid decay of DMI away from the interface, small skyrmions of near 10 nm are found in thick ~ 5 nm amorphous GdFe film at 300K. We have also considered three scenarios for the sign of DMI between Gd-Fe pair. It is revealed that antiferromagnetic coupling in the ferrimagnet plays an important role in enhancing the effect of interfacial DMI and to stabilize skyrmion. These results show that ferrimagnets and antiferromagnets with intrinsic antiferromagnetic couplings are appealing materials to host small skyrmions at room temperature, which is crucial to improve density and energy efficiency in skyrmion based devices. △ Less

Submitted 17 June, 2018; originally announced June 2018.

Magnetoelectric Response in Multiferroic SrFe12O19 Ceramics

Authors: Guolong Tan, Yao Huang, Haohao Sheng

Abstract: We report here the realization of ferroelectricity, ferromagnetism and magnetocapacitance effect in SrFe12O19 ceramics at room temperature. The ceramics demonstrate a saturated polarization hysteresis loop, two I-V peaks and large anomaly of dielectric constant near Curie temperature. These evidences confirmed the ferroelectricity of SrFe12O19 ceramics after annealing in O2 atmosphere. The remnant… ▽ More We report here the realization of ferroelectricity, ferromagnetism and magnetocapacitance effect in SrFe12O19 ceramics at room temperature. The ceramics demonstrate a saturated polarization hysteresis loop, two I-V peaks and large anomaly of dielectric constant near Curie temperature. These evidences confirmed the ferroelectricity of SrFe12O19 ceramics after annealing in O2 atmosphere. The remnant polarization of the SrFe12O19 ceramic is 103 μC/cm2. The material also exhibits strong ferromagnetic characterization, the coercive field and remnant magnetic moment are 6192Oe and 35.8emu/g, respectively. Subsequent annealing SrFe12O19 ceramics in O2 not only reveals its innate ferroelectricity but also improves the ferromagnetic properties through transforming Fe2+ into Fe3+. By applying a magnetic field, the capacitance demonstrates remarkable change along with B field, the maximum relative change of dielectric constant is 1174%, which reflects a giant magnetocapacitance effect in SrFe12O19. These combined functional responses in SrFe12O19 ceramics opens substantial possibilities for applications in novel electric devices. △ Less

Submitted 14 September, 2016; originally announced September 2016.

Colossal Magnetocapacitance Effect and Multiferroism of Polycrystalline La0.2Pb0.7Fe12O19

Authors: Guo-Long Tan, Hao-Hao Sheng

Abstract: The mutual control of the electric and magnetic properties of a multiferroic solid is of fundamental and great technological importance. We report here on the colossal magnetoelectric coupling effect of polycrystalline La0.2Pb0.7Fe12O19. A large classic ferroelectric hysteresis loop with full saturation and a strong magnetic hysteresis loop were observed simultaneously in polycrystalline La0.2Pb0.… ▽ More The mutual control of the electric and magnetic properties of a multiferroic solid is of fundamental and great technological importance. We report here on the colossal magnetoelectric coupling effect of polycrystalline La0.2Pb0.7Fe12O19. A large classic ferroelectric hysteresis loop with full saturation and a strong magnetic hysteresis loop were observed simultaneously in polycrystalline La0.2Pb0.7Fe12O19 due to the coexistence of an off-centered FeO6 octahedron in its unit cell and electron spins in the partially filled 3d orbits of the Fe3+ ions. The coupling voltage and capacity demonstrate giant oscillations, along with magnetic field; the maximum magnetocapacitance ratio exceeds 1.9E5 at 80 Hz. The substitution of La ions with Pb ions progressively stabilized the conical spin structure, which gave rise to the spin-current induced capacity oscillations upon magnetic field. △ Less

Submitted 14 March, 2016; originally announced March 2016.

Comments: The manuscript addresses several significant advances in multiferroic materials, including discovery of the coexistence of large ferroelectricity and strong ferromagnetism as well as colossal magnetocapacitance effect in a new M-type hexaferrite compound: La0.2Pb0.7Fe12O19

Decoupling and tuning competing effects of different types of defects on flux creep in irradiated YBa$_{2}$Cu$_{3}$O$_{7-δ}$ coated conductors

Authors: S. Eley, M. Leroux, M. W. Rupich, D. J. Miller, H. Sheng, P. M. Niraula, A. Kayani, U. Welp, W. -K. Kwok, L. Civale

Abstract: YBa$_{2}$Cu$_{3}$O$_{7-δ}$ coated conductors (CCs) have achieved high critical current densities ($\textit{J}_{c}$) that can be further increased through the introduction of additional defects using particle irradiation. However, these gains are accompanied by increases in the flux creep rate, a manifestation of competition between the different types of defects. Here, we study this competition to… ▽ More YBa$_{2}$Cu$_{3}$O$_{7-δ}$ coated conductors (CCs) have achieved high critical current densities ($\textit{J}_{c}$) that can be further increased through the introduction of additional defects using particle irradiation. However, these gains are accompanied by increases in the flux creep rate, a manifestation of competition between the different types of defects. Here, we study this competition to better understand how to design pinning landscapes that simultaneously increase $\textit{J}_{c}$ and reduce creep. CCs grown by metal organic deposition show non-monotonic changes in the temperature-dependent creep rate, $\textit{S}(\textit{T})$. Notably, in low fields, there is a conspicuous dip to low $\textit{S}$ as temperature ($\textit{T}$) increases from ~20 K to ~65 K. Oxygen-, proton-, and Au-irradiation substantially increase $\textit{S}$ in this temperature range. Focusing on an oxygen-irradiated CC, we investigate the contribution of different types of irradiation-induced defects to the flux creep rate. Specifically, we study $\textit{S}(\textit{T})$ as we tune the relative density of point defects to larger defects by annealing both an as-grown and an irradiated CC in O$_{2}$ at temperatures $\textit{T}_{A}$ = 250$°$C to 600$°$C. We observe a steady decrease in $\textit{S}$($\textit{T}$ > 20 K) with increasing $\textit{T}_{A}$, unveiling the role of pre-existing nanoparticle precipitates in creating the dip in $\textit{S}(\textit{T})$ and point defects and clusters in increasing $\textit{S}$ at intermediate temperatures. △ Less

Submitted 6 June, 2016; v1 submitted 13 February, 2016; originally announced February 2016.

Comments: 22 pages, 7 figures

Journal ref: Supercond. Sci. Technol. 30 015010 (2017)

Rapid Doubling of the Critical Current of YBa$_2$Cu$_3$O$_{7-δ}$ Coated Conductors for Viable High-Speed Industrial Processing

Authors: Maxime Leroux, Karen J. Kihlstrom, Sigrid Holleis, Martin W. Rupich, Srivatsan Sathyamurthy, Steven Fleshler, Huaping Sheng, Dean J. Miller, Serena Eley, Leonardo Civale, Asghar Kayani, Prashantamani M. Niraula, Ulrich Welp, Wai-Kwong Kwok

Abstract: We demonstrate that 3.5-MeV oxygen irradiation can markedly enhance the in-field critical current of commercial 2nd generation superconducting tapes with an exposure time of just one second per 0.8 cm2. The speed demonstrated here is now at the level required for an industrial reel-to-reel post-processing. The irradiation is made on production line samples through the protective silver coating and… ▽ More We demonstrate that 3.5-MeV oxygen irradiation can markedly enhance the in-field critical current of commercial 2nd generation superconducting tapes with an exposure time of just one second per 0.8 cm2. The speed demonstrated here is now at the level required for an industrial reel-to-reel post-processing. The irradiation is made on production line samples through the protective silver coating and does not require any modification of the growth process. From TEM imaging, we identify small clusters as the main source of increased vortex pinning. △ Less

Submitted 24 September, 2015; originally announced September 2015.

Comments: 4 figures

Journal ref: Appl. Phys. Lett. 107, 192601 (2015)

Dominant shear bands observed in amorphous ZrCuAl nanowires under simulated compression

Authors: Qiran Xiao, H. W. Sheng, Yunfeng Shi

Abstract: We observed the formation of dominant shear bands in model ZrCuAl metallic glass (MG) nanowires (18-nm-long) in molecular dynamics simulations, which implies size-independent incipient plasticity in MG materials. The MG nanowires were prepared using the simulated casting technique to ensure proper relaxation of sample surfaces. Under uniaxial compression, shear bands initiate at the surfaces and l… ▽ More We observed the formation of dominant shear bands in model ZrCuAl metallic glass (MG) nanowires (18-nm-long) in molecular dynamics simulations, which implies size-independent incipient plasticity in MG materials. The MG nanowires were prepared using the simulated casting technique to ensure proper relaxation of sample surfaces. Under uniaxial compression, shear bands initiate at the surfaces and lead to reduced icosahedral short-range order. The shear band formation is sensitive to sample thermal-history, which calls for careful consideration of sample preparation effects in both experimental and numerical studies of size-effect in MG samples. △ Less

Submitted 15 March, 2012; originally announced March 2012.

Comments: 5 pages, 2 figures, to be appeared in MRS Communications

Renormalization Group Theory for a Perturbed KdV Equation

Authors: Tao Tu, Hua Sheng

Abstract: We show that renormalization group(RG) theory can be used to give an analytic description of the evolution of a perturbed KdV equation. The equations describing the deformation of its shape as the effect of perturbation are RG equations. The RG approach may be simpler than inverse scattering theory(IST) and another approaches, because it dose not rely on any knowledge of IST and it is very conci… ▽ More We show that renormalization group(RG) theory can be used to give an analytic description of the evolution of a perturbed KdV equation. The equations describing the deformation of its shape as the effect of perturbation are RG equations. The RG approach may be simpler than inverse scattering theory(IST) and another approaches, because it dose not rely on any knowledge of IST and it is very concise and easy to understand. To the best of our knowledge, this is the first time that RG has been used in this way for the perturbed soliton dynamics. △ Less

Submitted 5 June, 2001; originally announced June 2001.

Comments: 4 pages, no figure, revtex