Half-metallic ferromagnetism of zinc-blende CrS and CrP: a first-principles pseudopotential study
文献类型：期刊论文
| 作者 | K. L. Yao ; G. Y. Gao ; Z. L. Liu ; L. Zhu |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2005 |
| 卷号 | 133期号:5页码:301-304 |
| 关键词 | electronic structure half-metallic ferromagnetism first-principles calculation |
| ISSN号 | 0038-1098 |
| 中文摘要 | The electronic structure and the ferromagnetism of CrS and UP in the zinc-blende (ZB) phase are investigated by spin-polarized calculations with first-principles plane-wave pseudopotential method within the generalized gradient approximation for the exchange-correlation potential. From the analysis of the spin-dependent density of states, band structure and magnetic moment. we predict that ZB CrS and CrP at their respective equilibrium lattice constant are half-metallic ferromagnets with a magnetic moment of 4.00 and 3.00mu(B) per formula unit, respectively. We also find that the ZB CrS maintains half-metallic ferromagnetism up to 3% compression of lattice constant while the half-metallic ferromagnetism for ZB CrP exists only near its equilibrium lattice constant. (C) 2004 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35176]  |
| 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 | K. L. Yao,G. Y. Gao,Z. L. Liu,et al. Half-metallic ferromagnetism of zinc-blende CrS and CrP: a first-principles pseudopotential study[J]. Solid State Communications,2005,133(5):301-304. |
| APA | K. L. Yao,G. Y. Gao,Z. L. Liu,&L. Zhu.(2005).Half-metallic ferromagnetism of zinc-blende CrS and CrP: a first-principles pseudopotential study.Solid State Communications,133(5),301-304. |
| MLA | K. L. Yao,et al."Half-metallic ferromagnetism of zinc-blende CrS and CrP: a first-principles pseudopotential study".Solid State Communications 133.5(2005):301-304. |
入库方式： OAI收割
来源：金属研究所
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