First-principles study on the (111) surface of half-metallic rocksalt VPo
文献类型：期刊论文
| 作者 | J. M. K. Al-zyadi ; G. Y. Gao ; K. L. Yao |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2012 |
| 卷号 | 152期号:14页码:1244-1248 |
| 关键词 | Electronic band structure Magnetic properties Half-metallic ferromagnetism First-principles calculation ferromagnetism stability cr temperature |
| ISSN号 | 0038-1098 |
| 中文摘要 | In this work, we have probed the structural, electronic, and magnetic properties of the (111) surface of rocksalt (RS) VPo. The first-principles full-potential linearized augmented plane-wave method is used. Bulk VPo is found to be a half-metallic ferromagnet at equilibrium lattice constant (0.59 nm) with a total spin magnetic moment of 3.0 mu(B) per formula unit. At the same equilibrium lattice constant, the V-terminated (111) surface preserves the half-metallic characteristics of the bulk VPo, however, the surface states destroy the gap in the minority spin band of the Po-terminated (111) surface. We also discuss the surface stability. (C) 2012 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/59883]  |
| 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. M. K. Al-zyadi,G. Y. Gao,K. L. Yao. First-principles study on the (111) surface of half-metallic rocksalt VPo[J]. Solid State Communications,2012,152(14):1244-1248. |
| APA | J. M. K. Al-zyadi,G. Y. Gao,&K. L. Yao.(2012).First-principles study on the (111) surface of half-metallic rocksalt VPo.Solid State Communications,152(14),1244-1248. |
| MLA | J. M. K. Al-zyadi,et al."First-principles study on the (111) surface of half-metallic rocksalt VPo".Solid State Communications 152.14(2012):1244-1248. |
入库方式： OAI收割
来源：金属研究所
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