Knowledge Management System of Institute of Theoretical Physics, CAS
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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| Properties of Single-Layer Boron Sheets: First-Principle Study through MatCloud Platform | |
| Source Publication | COMMUNICATIONS IN THEORETICAL PHYSICS
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| Language | 英语 |
| Keyword | First Principles Boron Monolayer Structure Electronic Properties Matcloud |
| Abstract | 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. |
| 2017 | |
| Volume | 68Issue:1Pages:125-130 |
| Subject Area | Physics |
| DOI | http://dx.doi.org/10.1088/0253-6102/68/1/125 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.itp.ac.cn/handle/311006/22023 |
| Collection | SCI期刊论文 |
| Corresponding Author | 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. |
| Recommended Citation 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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