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检索条件"机构=Key Laboratory of Material Simulation Methods and Software"
118 条 记 录,以下是81-90 订阅
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First-principles calculations on structural stability and electronic properties of nitrogen-doped lutetium hydrides under pressure
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Physical Review Research 2023年 第4期5卷 043238-043238页
作者: Xiaokuan Hao Xudong Wei Hanyu Liu Xiaoxu Song Rongxin Sun Guoying Gao Yongjun Tian Center for High Pressure Science (CHiPS) State Key Laboratory of Metastable Materials Science and Technology Yanshan University Qinhuangdao Hebei 066004 China Key Laboratory of Material Simulation Methods and Software of Ministry of Education College of Physics Jilin University Changchun 130012 China Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education) International Center of Future Science Jilin University Changchun 130012 China
Since the discovery of superconductivity, the realization of room-temperature superconductivity has been the long dream of mankind. Recently, it has been reported that nitrogen-doped lutetium hydride has room-temperat... 详细信息
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Computational prediction of ideal strength for a material
arXiv
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arXiv 2023年
作者: Wang, Zixun Wang, Xingyu Song, Xianqi Zhang, Xinxin Liu, Hanyu Zhang, Miao Key Laboratory of Material Simulation Methods and Software Ministry of Education State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun130012 China Department of Physics School of Sciences Beihua University Jilin132013 China Department of Science Shenyang University of Chemical Technology Shenyang110142 China
The ideal strength is crucial for predicting material behavior under extreme conditions, which can provide insights into material limits, guide design and engineer for enhanced performance and durability. In this work... 详细信息
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Nonlocal free-energy density functional for warm dense matter
arXiv
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arXiv 2024年
作者: Ma, Cheng Chen, Min Xie, Yu Xu, Qiang Mi, Wenhui Wang, Yanchao Ma, Yanming Key Laboratory of Material Simulation Methods & Software Ministry of Education College of Physics Jilin University Changchun130012 China State Key Lab of Superhard Materials College of Physics Jilin University Changchun130012 China International Center of Future Science Jilin University Changchun130012 China
Finite-temperature orbital-free density functional theory (FT-OFDFT) holds significant promise for simulating warm dense matter due to its favorable scaling with both system size and temperature. However, the lack of ... 详细信息
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Zeeman spin splittings with persistent spin textures in antiferromagnetic semiconductors
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Physical Review B 2023年 第12期108卷 125108-125108页
作者: Xinran Liu Hong Jian Zhao Laurent Bellaiche Yanming Ma Key Laboratory of Material Simulation Methods and Software of Ministry of Education College of Physics Jilin University Changchun 130012 China Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education) College of Physics Jilin University Changchun 130012 China International Center of Future Science Jilin University Changchun 130012 China Physics Department and Institute for Nanoscience and Engineering University of Arkansas Fayetteville Arkansas 72701 USA State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun 130012 China
Realizing sizable Zeeman spin splittings (ZSSs) with persistent spin textures (PSTs) in semiconductors is promising for the design of high-performance spintronic devices. The ZSSs of this kind have long been known in ... 详细信息
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Layer Hall Detection of the Néel Vector in Centrosymmetric Magnetoelectric Antiferromagnets
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Physical Review Letters 2024年 第9期133卷 096803页
作者: L. L. Tao Qin Zhang Huinan Li Hong Jian Zhao Xianjie Wang Bo Song Evgeny Y. Tsymbal Laurent Bellaiche School of Physics Key Laboratory of Material Simulation Methods and Software of Ministry of Education College of Physics International Center of Future Science National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Department of Physics and Astronomy & Nebraska Center for Materials and Nanoscience Smart Ferroic Materials Center Physics Department and Institute for Nanoscience and Engineering Department of Materials Science and Engineering Tel Aviv University Ramat Aviv Tel Aviv 6997801 Israel
The efficient detection of the Néel vector in antiferromagnets is one of the prerequisites toward antiferromagnetic spintronic devices and remains a challenging problem. Here, we propose that the layer Hall effec... 详细信息
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Theoretical Design of Superhard Twinned Bc2n
SSRN
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SSRN 2023年
作者: Min, Nan Liang, Hui Chen, Hao Song, Xianqi Zhou, Dan Li, Quan State Key Lab of Superhard Materials Key Laboratory of Material Simulation Methods & Software Ministry of Education College of Physics Jilin University Changchun130012 China International Center of Future Science Jilin University Changchun130012 China School of Physics Changchun University of Science and Technology Changchun130022 China
BC2N is an ideal combination of diamond and boron nitride and is expected to exhibit better mechanical properties and thermal stability than boron nitride and diamond, respectively. Recent studies raise exciting prosp... 详细信息
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Monolayer ThSi2N4: An indirect-gap semiconductor with ultra-high carrier mobility
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Physical Review B 2023年 第20期108卷 205427-205427页
作者: Cheng Lu Chuyan Cui Jingning Zuo Hongxia Zhong Shi He Wei Dai Xin Zhong School of Mathematics and Physics China University of Geosciences (Wuhan) Wuhan 430074 China School of Mathematics and Physics Jingchu University of Technology Jingmen 448000 China Key Laboratory of Materials Simulation Methods & Software of Ministry of Education College of Physics Jilin University Changchun 130012 China
The recently synthesized MoSi2N4 monolayer [Science 369, 670 (2020)] exhibit outstanding environmental stability, moderate band gap, and excellent mechanical properties, which opens up a new avenue for the exploration... 详细信息
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Creating cyclo-N5+ cation and assembling N5+N5− salt via electronegativity co-matching in tailored ionic compounds
arXiv
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arXiv 2024年
作者: Zhang, Bi Xin, Yu Xu, Meiling Zhang, Yiming Li, Yinwei Wang, Yanchao Chen, Changfeng Laboratory of Quantum Functional Materials Design and Application School of Physics and Electronic Engineering Jiangsu Normal University Xuzhou221116 China Key Laboratory of Material Simulation Methods and Software Ministry of Education State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun130012 China Department of Physics and Astronomy University of Nevada Las VegasNV89154 United States
The recent discovery of crystalline pentazolates marks a major advance in polynitrogen science and raises prospects of making the long-touted potent propellant N5+N5− salt. However, despite the synthesis of cycloN5− a... 详细信息
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Data-driven design of high-temperature superconductivity among ternary hydrides under pressure
arXiv
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arXiv 2024年
作者: Jiang, Bowen Luo, Xiaoshan Iitaka, Toshiaki Sun, Ying Zhong, Xin Lv, Jian Xie, Yu Ma, Yanming Liu, Hanyu Key Laboratory of Material Simulation Methods and Software of Ministry of Education College of Physics Jilin University Changchun130012 China State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun130012 China International Center of Future Science Jilin University Changchun130012 China Discrete Event Simulation Research Team RIKEN Center for Computational Science 2-1 Hirosawa Saitama Wako351-0198 Japan
Recently, ternary clathrate hydrides are promising candidates for high-temperature superconductor. However, it is a formidable challenge to effectively hunt high-temperature superconductivity among multinary hydrides ... 详细信息
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Fast and stable tight-binding framework for nonlocal kinetic energy density functional reconstruction in orbital-free density functional calculations
arXiv
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arXiv 2024年
作者: Chen, Yongshuo Ma, Cheng Cui, Boning Cui, Tian Mi, Wenhui Xu, Qiang Wang, Yanchao Ma, Yanming Key Laboratory of Material Simulation Methods & Software of Ministry of Education College of Physics Jilin University Changchun130012 China State Key Lab of Superhard Materials College of Physics Jilin University Changchun130012 China Institute of High Pressure Physics School of Physical Science and Technology Ningbo University Ningbo315211 China
Nonlocal kinetic energy density functionals (KEDFs) with density-dependent kernels are currently the most accurate functionals available for orbital-free density functional theory (OF-DFT) calculations. However, despi... 详细信息
来源: 评论