Structural, elastic properties and pressure-induced phase transition of 'half-Heusler' alloy CoVSb
文献类型：期刊论文
| 作者 | B. Kong ; X. R. Chen ; J. X. Yu ; C. L. Cai |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2011 |
| 卷号 | 509期号:5页码:2611-2616 |
| 关键词 | CoVSb Elastic properties Pressure-induced phase transition Generalized gradient approximation electronic-structure metallic ferromagnet physical-properties room-temperature thin-films crystals magnetoresistance semiconductor instabilities constants |
| ISSN号 | 0925-8388 |
| 中文摘要 | The structural, elastic properties and the pressure-induced phase transition of 'half-Heusler' alloy CoVSb are investigated using the pseudopotential plane wave method within the generalized gradient approximation (GGA). The calculated structural parameters are in good agreement with the available experimental and theoretical data. The elastic constants and their pressure dependences of 'half-Heusler' cubic CoVSb are calculated using the static finite strain technique, and are presented for the first time together with the theoretical pressure-induced phase transition. The research of phase transition and the calculations of electronic structures show that the 'half-Heusler' cubic CoVSb transforms to normal hexagonal CoVSb with atomic configurations I and II at about 13.5 and 78.0 GPa, respectively at OK. Combining the analysis of ground-state structures, it is concluded that the 'half-Heusler' cubic CoVSb mainly transforms to hexagonal CoVSb with atomic configuration I at a relative lower pressure. (C) 2010 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/321006/30433]  |
| 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 | B. Kong,X. R. Chen,J. X. Yu,et al. Structural, elastic properties and pressure-induced phase transition of 'half-Heusler' alloy CoVSb[J]. Journal of Alloys and Compounds,2011,509(5):2611-2616. |
| APA | B. Kong,X. R. Chen,J. X. Yu,&C. L. Cai.(2011).Structural, elastic properties and pressure-induced phase transition of 'half-Heusler' alloy CoVSb.Journal of Alloys and Compounds,509(5),2611-2616. |
| MLA | B. Kong,et al."Structural, elastic properties and pressure-induced phase transition of 'half-Heusler' alloy CoVSb".Journal of Alloys and Compounds 509.5(2011):2611-2616. |
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。