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Properties of Single-Layer Boron Sheets: First-Principle Study through MatCloud Platform
Wang, ZG; Yang, XY; Qin, SJ; Wang, CL; Yang, XY (reprint author), Chinese Acad Sci, Comp Network Informat Ctr, Beijing 100190, Peoples R China.; Yang, XY (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
2017
发表期刊COMMUNICATIONS IN THEORETICAL PHYSICS
卷号68期号:1页码:125-130
文章类型Article
摘要Electronic structures in two kinds of boron structures are investigated by the first-principle density functional theory (DFT) calculations. One structure is from theoretical prediction, and the other is from experimental investigation. Binding energy calculations suggest that the boron structure designed from theory is more stable than that made by experiment. Elastic constants calculations show that both structures are mechanically stable. The electronic structure results show that the theoretical designed structure exhibits semi-metal behavior, while the other structure exhibits metallic character. No magnetic phenomenal is discovered from them. All the calculations are carried out by the first principles calculation through the MatCloud platform, which is developed by our research group.
关键词First Principles Boron Monolayer Structure Electronic Properties Matcloud
学科领域Physics
DOIhttp://dx.doi.org/10.1088/0253-6102/68/1/125
关键词[WOS]ELECTRONIC-PROPERTIES
语种英语
WOS类目Physics, Multidisciplinary
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/22023
专题理论物理所SCI论文
通讯作者Yang, XY (reprint author), Chinese Acad Sci, Comp Network Informat Ctr, Beijing 100190, Peoples R China.; Yang, XY (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
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GB/T 7714
Wang, ZG,Yang, XY,Qin, SJ,et al. Properties of Single-Layer Boron Sheets: First-Principle Study through MatCloud Platform[J]. COMMUNICATIONS IN THEORETICAL PHYSICS,2017,68(1):125-130.
APA Wang, ZG,Yang, XY,Qin, SJ,Wang, CL,Yang, XY ,&Yang, XY .(2017).Properties of Single-Layer Boron Sheets: First-Principle Study through MatCloud Platform.COMMUNICATIONS IN THEORETICAL PHYSICS,68(1),125-130.
MLA Wang, ZG,et al."Properties of Single-Layer Boron Sheets: First-Principle Study through MatCloud Platform".COMMUNICATIONS IN THEORETICAL PHYSICS 68.1(2017):125-130.
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