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arXiv 2021年

作者： Wu, W. Li, Yanjie J. Zhang, J.H. Yu, Z.H. Liu, Z.Y. Zheng, P. Yang, H.X. Dong, C. Liu, K. Xiang, T. Luo, J.L. Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing100190 China School of Physical Sciences University of Chinese Academy of Sciences Beijing100190 China School of Physical Science and Technology ShanghaiTech University Shanghai201210 China Department of Physics Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices Renmin University of China Beijing100872 China Kavli Institute for Theoretical Sciences Beijing100190 China Songshan Lake Materials Laboratory DongguanGuangdong523808 China

Exploration of superconductivity in light element compounds has drawn considerable attention because those materials can easily realize the high TC superconductivity, such as LnNi2B2C (TC =17 K), MgB2 (TC =39 K), and very recently super-hydrides under pressure (TC =250 K). Here we report the discovery of bulk superconductivity at 7.8 K in scandium borocarbide Sc20BC27 with a tetragonal lattice which structure changes based on the compound of Sc3C4 with very little B doping. Magnetization and specific heat measurements show bulk superconductivity. An upper critical field of Hc2(0) ~ 8 T is determined. Low temperature specific-heat shows that this system is a BCS fully gapped s-wave superconductor. Electronic structure calculations demonstrate that compared with Sc3C4 there are more orbital overlap and hybridization between Sc 3d electrons and 2p electrons of C-C(B)-C fragment in Sc20BC27, which form a new electric conduction path of Sc-C(B)-Sc. Those changes influence the band structure at the Fermi level and may be the reason of superconductivity in Sc20BC27 © 2021, CC BY.

关键词： Magnesium compounds

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lMFF: Efficient and Scalable layered Materials Force Field on Heterogeneous Many-Core Processors

lMFF: Efficient and Scalable layered Materials Force Field o...

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Supercomputing Conference

作者： Ping Gao Xiaohui Duan Jiaxu Guo Jin Wang Zhenya Song Lizhen Cui Xiangxu Meng Xin Liu Wusheng Zhang Ming Ma Guohui Li Dexun Chen Haohuan Fu Wei Xue Weiguo Liu Guangwen Yang School of Software Shandong University Jinan China National Supercomputing Center in Wuxi Wuxi China Department of Computer Science and Technology Tsinghua University Beijing China College of Computer Science and Technology Jilin University Changchun China Department of Engineering Mechanics Center for Nano and Micro Mechanics Tsinghua University Beijing China Ministry of Natural Resources First Institute of Oceanography and Key Laboratory of Marine Science and Numerical Modeling Qingdao China Joint SDU-NTU Centre for Artificial Intelligence Research (C-FAIR) Jinan China Engineering Research Center of Digital Media Technology Ministry of Education Jinan China Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian China Department of Earth System Science Ministry of Education Key Lab for Earth System Modeling Tsinghua University Beijing China

ISBN: (数字)9781450384421

ISBN: (纸本)9781665483902

LAMMPS is one of the most popular Molecular Dynamic (MD) packages and is widely used in the field of physics, chemistry and materials simulation. Layered Materials Force Field (LMFF) is our expansion of the LAMMPS potential function based on the Tersoff potential and inter-layer potential (ILP) in LAMMPS. LMFF is designed to study layered materials such as graphene and boron hexanitride. It is universal and does not depend on any platform. We have also carried out a series of optimizations on LMFF and the optimization work is carried out on the new generation of Sunway supercomputer, called SWLMFF. Experiments show that our implementation is efficient, scalable and portable. When generic LMFF is ported to Intel Xeon Gold 6278C, $2\times$ performance improvement is achieved. For the optimized SWLMFF, the overall performance improvement is nearly $200-330\times$ compared to the original ILP and Tersoff potentials. And SWLMFF has good parallel efficiency of 95%-100% under weak scaling with 2.7 million atoms on a single process. The maximum atomic system simulated by SWLMFF is close to $2^{31}$ atoms. And nanosecond simulations in one day can be realized.

关键词： Program processors Atomic layer deposition High performance computing Force Graphene Supercomputers Optimization

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Giant nonlocal edge conduction in the axion insulator state of MnBi2Te4

arXiv

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arXiv 2021年

作者： Li, Yaoxin Liu, Chang Wang, Yongchao Lian, Zichen Li, Shuai Li, Hao Wu, Yang Lu, Hai-Zhou Zhang, Jinsong Wang, Yayu State Key Laboratory of Low Dimensional Quantum Physics Department of Physics Tsinghua University Beijing100084 China Beijing Academy of Quantum Information Sciences Beijing100193 China Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-Nano Devices Department of Physics Renmin University of China Beijing100872 China Renmin University of China Beijing100872 China Shenzhen Institute for Quantum Science and Engineering Department of Physics Southern University of Science and Technology Shenzhen518055 China Shenzhen Key Laboratory of Quantum Science and Engineering Shenzhen518055 China Shenzhen518045 China International Quantum Academy Shenzhen518048 China School of Materials Science and Engineering Tsinghua University Beijing100084 China Tsinghua-Foxconn Nanotechnology Research Center Department of Physics Tsinghua University Beijing100084 China College of Science Beijing University of Chemical Technology Beijing100029 China New Cornerstone Science Laboratory Frontier Science Center for Quantum Information Beijing100084 China Hefei National Laboratory Hefei230088 China

The recently discovered antiferromagnetic (AFM) topological insulator (TI) MnBi2Te4 represents a versatile material platform for exploring exotic topological quantum phenomena in nanoscale devices. It has been proposed that even-septuple-layer (even-SL) MnBi2Te4 can host helical hinge current with unique nonlocal behavior, but experimental confirmation is still lacking. In this work, we report transport studies of exfoliated MnBi2Te4 flakes with varied thicknesses down to the few-nanometer regime. We observe giant nonlocal transport signals in even-SL devices when the system is in the axion insulator state but vanishingly small nonlocal signal in the odd-SL devices at the same magnetic field range. In conjunction with theoretical calculations, we demonstrate that the nonlocal transport is via the helical edge currents mainly distributed at the hinges between the side and top/bottom surfaces. The helical edge currents in the axion insulator state may find unique applications in topological quantum devices. Copyright © 2021, The Authors. All rights reserved.

关键词： Quantum theory

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Ionic-Liquid-Gating Induced Protonation and Superconductivity in FeSe,FeSe0.93S0.07, ZrNCl, 1T-TaS2 and Bi2Se3

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Chinese Physics Letters 2019年第7期36卷 90-93页

作者： Yi Cui Ze Hu Jin-Shan Zhang Wen-Long Ma Ming-Wei Ma Zhen Ma Cong Wang Jia-Qiang Yan Jian-Ping Sun Jin-Guang Cheng Shuang Jia Yuan Li Jin-Sheng Wen He-Chang Lei Pu Yu Wei Ji Wei-Qiang Yu School of Mathematics and Physics North China Electric Power University Beijing 102206 Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices Renmin University Beijing 100872 International Center for Quantum Materials School of Physics Peking University Beijing 100871 National Laboratory of Solid State Microstructures and Department of Physics Nanjing University Nanjing 210093 Materials Science and Technology Division Oak Ridge National Laboratory Oak Ridge Tennessee 37831 USA Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of Sciences Beijing 100190 7Collaborative Innovation Center of Quantum Matter Beijing 100871 Innovative Center for Advanced Microstructures Nanjing University Nanjing 210093 State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics Tsinghua University Beijing 100084

We report protonation in several compounds by an ionic-liquid-gating method, under optimized gating *** leads to single superconducting phases for several compounds. Non-volatility of protons allows post-gating magnetization and transport measurements. The superconducting transition temperature Tc is enhanced to 43.5 K for FeSe0.93S0.07, and 41 K for Fe Se after protonation. Superconducting transitions with Tc^15 K for ZrNCl,~7.2 K for 1-TaS2, and ~3.8 K for Bi2Se3 are induced after protonation. Electric transport in protonated FeSe0.93S0.07 confirms high-temperature superconductivity. Our ^1H nuclear magnetic resonance(NMR)measurements on protonated Fe Se1-xSx reveal enhanced spin-lattice relaxation rate 1/^1T1 with increasing x,which is consistent with the LDA calculations that H+ is located in the interstitial sites close to the anions.

关键词： compounds by an optimized gating conditions close to the anions

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Highly enhanced visible-light photocatalytic NOx purification and conversion pathway on self-structurally modified g-C-3N4 nanosheets

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science Bulletin 2018年第10期63卷 609-620页

作者： Yuhan Li Yanjuan Sun Wingkei Ho Yuxin Zhang Hongwei Huang Qiang Cai Fan Dong Chongqing Key Laboratory of Catalysis and New Environmental Materials Engineering Research Center for Waste Oil Recovery Technology and Equipment Ministry of Education College of Environment and Resources Chongqing Technology and Business University Chongqing 400067. China Department of Science and Environmental Studies. The Center for Education in Environmental Sustainability The Education University of Hong Kong. Hong Kong China College of Materials Science and Engineering National Key Laboratory of Fundamental Science of Micro/Nano-Devices and System Technology. Chongqing University.Chongqing 400044. China School of Materials Science and Technology National Laboratory of Mineral Materials China University of Geosciences Beijing 100083 China

The unmodified graphitic carbon nitride(g-C_3N_4) suffers from low photocatalytic activity because of the unfavourable *** the present work,we reported a simple self-structural modification strategy to optimize the microstructure of g-C_3N_4 and obtained graphene-like g-C_3N_4 nanosheets with porous *** contrast to traditional thermal pyrolysis preparation of g-C_3N_4,the present thermal condensation was improved via pyrolysis of thiourea in an alumina crucible without a cover,followed by secondary heat *** popcorn-like formation and layer-by-layer thermal exfoliation of graphene-like porous g-C_3N_4 was proposed to explain the formation *** photocatalytic removal performance of both NO and NO_2 with the graphene-like porous g-C_3N_4 for was significantly enhanced by selfstructural *** experiments and in-situ diffuse reflectance infrared fourier transform spectroscopy(DRIFTS) measurement were conducted to detect the active species during photocatalysis and the conversion pathway of g-C_3N_4 photocatalysis for NO_x purification was *** photocatalytic activity of graphene-like porous g-C_3N_4 was highly enhanced due to the improved charge separation and increased oxidation capacity of the ·O_2^- radicals and *** work could not only provide a novel self-structural modification for design of highly efficient photocatalysts,but also offer new insights into the mechanistic understanding of g-C_3N_4 photocatalysis.

关键词： Self-structural modification g-C3N4 Visible light photocatalysis In-situ DRIFTS Conversion pathway

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Effects of disorder and hydrostatic pressure on charge density wave and superconductivity in 2H−TaS2

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Physical Review B 2021年第22期103卷 224509-224509页

作者： Shuxiang Xu Jingjing Gao Ziyi Liu keyu Chen Pengtao Yang Shangjie Tian Chunsheng Gong Jianping Sun Mianqi Xue Jun Gouchi Xuan Luo Yuping Sun Yoshiya Uwatoko Hechang Lei Bosen Wang Jinguang Cheng Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of Sciences Beijing 100190 China School of Physical Sciences University of Chinese Academy of Sciences Beijing 100190 China Key Laboratory of Materials Physics Institute of Solid State Physics Chinese Academy of Sciences Hefei 230031 China Science Island Branch of Graduate School University of Science and Technology of China Hefei 230026 China Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices Renmin University of China Beijing 100872 China Technical Institute of Physics and Chemistry Chinese Academy of Sciences Beijing 100190 China Institute for Solid State Physics University of Tokyo Kashiwanoha 5-1-5 Kashiwa Chiba 277–8581 Japan High Magnetic Field Laboratory Chinese Academy of Sciences Hefei 230031 China Collaborative Innovation Center of Microstructures Nanjing University Nanjing 210093 China Songshan Lake Materials Laboratory Dongguan Guangdong 523808 China

We report the comparative effects of disorder and hydrostatic pressure on charge density wave (CDW) and superconductivity (SC) in 2H−TaS2 by measuring electrical resistivity and ac magnetic susceptibility. For the crystals in the clean limit (low disorder level), CDW ground state is suppressed completely at a critical pressure Pc∼6.24(5)GPa where a dome-shaped pressure dependence of superconducting transition temperature Tc(P) appears with a maximum value of Tcmax∼9.15K, indicating strong competitions between CDW and SC. The temperature exponent n of low-temperature resistivity data decreases from ∼3.36 at ambient pressure (AP) to ∼1.29(2) at Pc and then retains a saturated value ∼2.10(4) when the pressure is higher than 7.5 GPa; accordingly, the quadratic temperature coefficient of normal-state resistivity A peaks out just at Pc with an enhancement by nearly one order in magnitude. These features strongly manifest that the enhanced critical CDW fluctuations near Pc are possible important glues for superconducting pairings. High-pressure magnetic susceptibility indicates that superconducting shielding volume increases with pressure and retains a nearly constant value above Pc, which evidences that the enhancement of Tc(P) is accompanied by the expense of CDW. For those crystals in dirty limit (high disorder level), there is no clear CDW phase transition in resistivity; the pressure dependence of Tc(P) and n broadens up and becomes less apparent in comparison with the clean crystals. Our results suggest that disorder scattering and the melting of CDW are two factors affecting SC, and the melting of CDW dominates the change of Tc below Pc; the enhancement of Tc(P) is associated with the suppression of CDW by pressure and the increase in the density of states at Fermi level; however, after the CDW collapse, superconducting pairing strength is strongly weakened by impurity scattering above Pc according to Anderson's theorem.

关键词： Charge density waves Electrical properties Magnetic susceptibility Pressure effects Superconductivity Pressure techniques

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E8 Spectra of Quasi-One-Dimensional Antiferromagnet BaCo2V2O8 under Transverse Field

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Physical Review Letters 2021年第7期127卷 077201-077201页

作者： Haiyuan Zou Yi Cui Xiao Wang Z. Zhang J. Yang G. Xu A. Okutani M. Hagiwara M. Matsuda G. Wang Giuseppe Mussardo K. Hódsági M. Kormos Zhangzhen He S. Kimura Rong Yu Weiqiang Yu Jie Ma Jianda Wu Tsung-Dao Lee Institute Shanghai Jiao Tong University Shanghai 200240 China Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials and Micro-nano Devices Renmin University of China Beijing 100872 China NIST Center for Neutron Research National Institute of Standards and Technology Gaithersburg Maryland 20899-6102 USA Center for Advanced High Magnetic Field Science Graduate School of Science Osaka University Toyonaka Osaka 560-0043 Japan Neutron Scattering Division Oak Ridge National Laboratory Oak Ridge Tennessee 37831 USA Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China SISSA and INFN Sezione di Trieste Via Bonomea 265 I-34136 Trieste Italy BME-MTA Statistical Field Theory Research Group Institute of Physics Budapest University of Technology and Economics 1111 Budapest Budafoki út 8 Hungary MTA-BME Quantum Dynamics and Correlations Research Group Department of Theoretical Physics Budapest University of Technology and Economics 1111 Budapest Budafoki út 8 Hungary State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou Fujian 350002 China Institute for Materials Research Tohoku University Sendai Miyagi 980-8577 Japan Key Laboratory of Artificial Structures and Quantum Control (Ministry of Education) Shenyang National Laboratory for Materials Science School of Physics and Astronomy Shanghai Jiao Tong University Shanghai 200240 China School of Physics and Astronomy Shanghai Jiao Tong University Shanghai 200240 China

We report V51 NMR and inelastic neutron scattering (INS) measurements on a quasi-1D antiferromagnet BaCo2V2O8 under transverse field along the [010] direction. The scaling behavior of the spin-lattice relaxation rate above the Néel temperatures unveils a 1D quantum critical point (QCP) at Hc1D≈4.7 T, which is masked by the 3D magnetic order. With the aid of accurate analytical analysis and numerical calculations, we show that the zone center INS spectrum at Hc1D is precisely described by the pattern of the 1D quantum Ising model in a magnetic field, a class of universality described in terms of the exceptional E8 Lie algebra. These excitations are nondiffusive over a certain field range when the system is away from the 1D QCP. Our results provide an unambiguous experimental realization of the massive E8 phase in the compound, and open a new experimental route for exploring the dynamics of quantum integrable systems as well as physics beyond integrability.

关键词： Quantum phase transitions

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micropatterned piezoelectric films induced by modulated corona field for weak signal detection

引用

Chemical Engineering Journal 2025年 517卷

作者： Fu Lv Chenghang Yu Bing Liu Jiamin Lin Zijian Hong Yongjun Wu Zhaohui Ren Qilong Zhang Shurong Dong Jikui Luo Juan Li Yuhui Huang School of Materials Science and Engineering Cyrus Tang Center for Sensor Materials and Applications Innovation Center of Yangtze Delta Institute of Fundamental and Transdisciplinary Research Zhejiang University Hangzhou Zhejiang 310058 China Nanhu Brain-computer Interface Institute Hangzhou Zhejiang 311100 China School of Engineering Hangzhou City University Hangzhou Zhejiang 310015 China College of Electronic Information and Engineering Hangzhou Dianzi University Hangzhou Zhejiang 310018 China Zhejiang Key Laboratory of Advanced Solid State Energy Storage Technology and Applications Taizhou Institute of Zhejiang University Taizhou Zhejiang 318000 China College of Information Science and Electronic Engineering Key Lab of Advanced Micro/Nano Electronic Devices & Smart Systems of Zhejiang Zhejiang University Hangzhou Zhejiang 310027 China College of Materials and Science Engineering Zhejiang University of Technology Hangzhou Zhejiang 310014 China

Enhancing the inherent piezoelectricity and introducing innovative structural designs are the two fundamental strategies for enhancing the pressure sensitivity of P(VDF-TrFE)-based sensors. In this study, we propose a scalable and cost-effective manufacturing approach that utilizes a modulated corona field to create micropatterns on the surface of P(VDF-TrFE) films, and enhance their piezoelectric properties during the annealing and recrystallization process. The micropatterned P(VDF-TrFE) films exhibit a distinctive “wavy” microstructure and possess ultrahigh piezoelectric properties (d 33 ∼ 35.6 pC/N), resulting in excellent sensitivity (∼477.94 mV/kPa). To unravel the underlying mechanism responsible for this superior performance, we employ finite element modeling and phase-field simulations. Our findings reveal that the modulated corona field generates an equipotential surface with a characteristic “wavy” distribution and promotes the creation of nucleation sites for the polar β phase in P(VDF-TrFE) films. A real-time monitoring system is further exploited with the obtained micropatterned P(VDF-TrFE) films for detecting radial artery pulse signals. The results obtained from this work hold great promise for the development of highly sensitive sensors, with wide-ranging applications in healthcare and environmental monitoring.

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Quadratic fractional solitons

arXiv

引用

arXiv 2021年

作者： Zeng, Liangwei Zhu, Yongle Malomed, Boris A. Mihalache, Dumitru Wang, Qing Long, Hu Cai, Yi Lu, Xiaowei Li, Jingzhen Shenzhen Key Laboratory of Micro-Nano Photonic Information Technology Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province College of Physics and Optoelectronic Engineering Shenzhen University Shenzhen518060 China Department of Physical Electronics School of Electrical Engineering Faculty of Engineering Center for Light-Matter Interaction Tel Aviv University P.O.B. 39040 Tel Aviv Israel Instituto de Alta Investigación Universidad de Tarapacá Casilla 7D Arica Chile Horia Hulubei National Institute of Physics and Nuclear Engineering Magurele BucharestRO-077125 Romania College of Science JiuJiang University Jiangxi Jiujiang334000 China

We introduce a system combining the quadratic self-attractive or composite quadratic-cubic nonlinearity, acting in the combination with the fractional diffraction, which is characterized by its Lévy index α. The model applies to a gas of quantum particles moving by Lévy flights, with the quadratic term representing the Lee-Huang-Yang correction to the mean-field interactions. A family of fundamental solitons is constructed in a numerical form, while the dependence of its norm on the chemical potential characteristic is obtained in an exact analytical form. The family of quasi-Townes solitons, appearing in the limit case of α = 1/2, is investigated by means of a variational approximation. A nonlinear lattice, represented by spatially periodical modulation of the quadratic term, is briefly addressed too. The consideration of the interplay of competing quadratic (attractive) and cubic (repulsive) terms with a lattice potential reveals families of single-, double-, and triple-peak gap solitons (GSs) in two finite bandgaps. The competing nonlinearity gives rise to alternating regions of stability and instability of the GS, the stability intervals shrinking with the increase of the number of peaks in the GS. Copyright © 2021, The Authors. All rights reserved.

关键词： Diffraction

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Surface- and Strain-Mediated Reversible Phase Transformation in Quantum-Confined ZnO nanowires

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Physical Review Letters 2019年第21期123卷 216101-216101页

作者： Peili Zhao Xiaoxi Guan He Zheng Shuangfeng Jia Lei Li Huihui Liu Lulu Zhao Huaping Sheng Weiwei Meng Yuanlin Zhuang Jiangbing Wu Luying Li Jianbo Wang School of Physics and Technology Center for Electron Microscopy MOE Key Laboratory of Artificial Micro- and Nano-structures and Institute for Advanced Studies Wuhan University Wuhan 430072 China Center for Nanoscale Characterization & Devices Wuhan National Laboratory for Optoelectronics Huazhong University of Science and Technology Wuhan 430074 China

The phase stability of ZnO in a quantum-confinement size regime (sub-2-nm) remains fiercely debated. Applying in situ (scanning) transmission electron microscopy, we present the atomistic view of the phase transitions from the original wurtzite structure to an intermediate body-centered tetragonal and h-MgO structure under tensile strain in quantum-confined ZnO nanowires. Strikingly, such structural transitions are reversible after releasing the stress. Further theoretical calculations mirror the transition pathway and provide basic insight into the overall landscape regarding surface- and strain-dependent phase transition behavior. Our results provide the critical piece to solve the puzzle in phase stability of ZnO, which may prove essential for advancing a variety of nanotechnologies, e.g., quantum-dot light-emitting devices.

关键词： Crystal structure Dynamical phase transitions First-principles calculations Lattice dynamics nanowires Transmission electron microscopy

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