Properties of Single-Layer Boron Sheets: First-Principle Study through MatCloud Platform
文献类型：期刊论文
| 作者 | 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.
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| 刊名 | COMMUNICATIONS IN THEORETICAL PHYSICS
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| 出版日期 | 2017 |
| 卷号 | 68期号:1页码:125-130 |
| 关键词 | First Principles Boron Monolayer Structure Electronic Properties Matcloud |
| DOI | http://dx.doi.org/10.1088/0253-6102/68/1/125 |
| 英文摘要 | 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. |
| 学科主题 | Physics |
| 语种 | 英语 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/22023]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 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. |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：理论物理研究所
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