First-principles calculations for elastic properties of OsB(2) under pressure
文献类型：期刊论文
| 作者 | J. W. Yang ; X. R. Chen ; F. Luo ; G. F. Ji |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2009 |
| 卷号 | 404期号:20页码:3608-3613 |
| 关键词 | Density functional theory Elastic constants Anisotropy OsB(2) ab-initio calculations thermodynamic properties electronic-structure osmium diboride crystals superconductivity transition constants phase rub2 |
| ISSN号 | 0921-4526 |
| 中文摘要 | The structure, elastic properties and elastic anisotropy of orthorhombic OsB(2) are investigated by density functional theory method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation (GGA) as well as local density approximation (LDA). The obtained structural parameters, elastic constants, elastic anisotropy and Debye temperature for OsB(2) under pressure are consistent with the available experimental data and other theoretical results. It is found that the elastic constants, bulk modulus and Debye temperature of OsB(2) tend to increase with increasing pressure. It is predicted that OsB(2) is not a superhard material from our calculations. (C) 2009 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32489]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | J. W. Yang,X. R. Chen,F. Luo,et al. First-principles calculations for elastic properties of OsB(2) under pressure[J]. Physica B-Condensed Matter,2009,404(20):3608-3613. |
| APA | J. W. Yang,X. R. Chen,F. Luo,&G. F. Ji.(2009).First-principles calculations for elastic properties of OsB(2) under pressure.Physica B-Condensed Matter,404(20),3608-3613. |
| MLA | J. W. Yang,et al."First-principles calculations for elastic properties of OsB(2) under pressure".Physica B-Condensed Matter 404.20(2009):3608-3613. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。