Surface-induced truly half-metallicity in VTe with rocksalt structure from first-principles calculations
文献类型：期刊论文
| 作者 | G. Y. Gao ; B. Xu ; K. L. Yao |
| 刊名 | Journal of Applied Physics
 |
| 出版日期 | 2012 |
| 卷号 | 111期号:10 |
| 关键词 | molecular-beam epitaxy ferromagnetism chalcogenides temperature stability mnte |
| ISSN号 | 0021-8979 |
| 中文摘要 | Motivated by the experimental synthesis of bulk MnTe with rocksalt structure, we use the first-principles calculations to explore the structural, electronic, and magnetic properties of Vie in four different phases: rocksalt, zinc-blende, wurtzite, and ground-state NiAs. It is found that the ground-state NiAs phase is antiferromagnetic, but both the zinc-blende and wurtzite phases exhibit truly half-metallic ferromagnetism, and the rocksalt phase is a nearly half-metal. Importantly, the rocksalt phase is energetically more stable than the zinc-blende and wurtzite ones. We further reveal that there is an interesting transition from the nearly half-metallicity in bulk rocksalt Vie to the truly half-metallicity at the Te-terminated (111) surface, and the Te-terminated (111) surface is energetically more stable than the V-terminated (111) surface, which makes VTe with rocksalt structure promising candidate for spintronic applications. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4717730] |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/59954]  |
| 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 | G. Y. Gao,B. Xu,K. L. Yao. Surface-induced truly half-metallicity in VTe with rocksalt structure from first-principles calculations[J]. Journal of Applied Physics,2012,111(10). |
| APA | G. Y. Gao,B. Xu,&K. L. Yao.(2012).Surface-induced truly half-metallicity in VTe with rocksalt structure from first-principles calculations.Journal of Applied Physics,111(10). |
| MLA | G. Y. Gao,et al."Surface-induced truly half-metallicity in VTe with rocksalt structure from first-principles calculations".Journal of Applied Physics 111.10(2012). |
入库方式： OAI收割
来源：金属研究所
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