| Elastic constants and anisotropy of beta-BC2N under pressure | |
| Chang, Jing1; Chen, Xiang-Rong1,2; Wei, Dong-Qing3; Yuan, Xiao-Li1 | |
| 通讯作者 | Chen, Xiang-Rong(x.r.chen@tom.com) |
| 2010-09-01 | |
| 发表期刊 | PHYSICA B-CONDENSED MATTER
 |
| ISSN | 0921-4526 |
| 卷号 | 405期号:17页码:3751-3755 |
| 摘要 | Structural, elastic constants and anisotropy of the potential superhard orthorhombic structure boron carbonitride beta-BC2N under hydrostatic pressure up to 100 GPa have been studied using density functional theory within the local density approximation (LDA) as well as the generalized gradient approximation (GGA) for exchange and correlation. The results are in excellent agreement with available experimental data and other theoretical results. Changes of lattice constants, the cell volume, elastic constants, and elastic anisotropy of beta-BC2N under hydrostatic loading are examined, and the bulk modulus B-0 and its pressure derivative B'(0) are fitted from the volume-pressure relation. It is concluded that beta-BC2N is a brittle and hard material in nature up to 100 GPa and is next to diamond in hardness. An analysis for the calculated elastic constant has been made to reveal the mechanical stability of beta-BC2N up to 100 GPa. (C) 2010 Elsevier B.V. All rights reserved. |
| 关键词 | Elastic properties Anisotropy Density functional theory beta-BC2N |
| 资助者 | National Natural Science Foundation of China ; Specialized Research Fund for the Doctoral Program of Higher Education |
| DOI | 10.1016/j.physb.2010.05.080 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 资助项目 | National Natural Science Foundation of China[10776022] ; Specialized Research Fund for the Doctoral Program of Higher Education[20090181110080] |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Condensed Matter |
| WOS记录号 | WOS:000280897500047 |
| 出版者 | ELSEVIER SCIENCE BV |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.imr.ac.cn/handle/321006/101814 |
| 专题 | 中国科学院金属研究所 |
| 通讯作者 | Chen, Xiang-Rong |
| 作者单位 | 1.Sichuan Univ, Coll Phys Sci & Technol, Chengdu 610064, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 3.Shanghai Jiao Tong Univ, Coll Life Sci & Biotechnol, Shanghai 200240, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chang, Jing,Chen, Xiang-Rong,Wei, Dong-Qing,et al. Elastic constants and anisotropy of beta-BC2N under pressure[J]. PHYSICA B-CONDENSED MATTER,2010,405(17):3751-3755. |
| APA | Chang, Jing,Chen, Xiang-Rong,Wei, Dong-Qing,&Yuan, Xiao-Li.(2010).Elastic constants and anisotropy of beta-BC2N under pressure.PHYSICA B-CONDENSED MATTER,405(17),3751-3755. |
| MLA | Chang, Jing,et al."Elastic constants and anisotropy of beta-BC2N under pressure".PHYSICA B-CONDENSED MATTER 405.17(2010):3751-3755. |
| 条目包含的文件 | 条目无相关文件。 | |||||
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