Bulk and surface half-metallicity: Metastable zinc-blende TiSb
文献类型：期刊论文
| 作者 | G. Y. Gao ; K. L. Yao |
| 刊名 | Journal of Applied Physics
 |
| 出版日期 | 2012 |
| 卷号 | 112期号:2 |
| 关键词 | room-temperature ferromagnetism molecular-beam epitaxy crsb cras spintronics state mnas |
| ISSN号 | 0021-8979 |
| 中文摘要 | Motivated by the recent experimental fabrication of half-metallic MnSb and CrSb thin films with metastable zinc-blende structure [Aldous et al. Phys. Rev. B 85, 060403(R) (2012); Deng et al. J. Appl. Phys. 99, 093902 (2006)], we investigate the structural, electronic, and magnetic properties of TiSb in both ground-state NiAs and metastable zinc-blende phases by using the first-principles calculations. It is shown that the ground-state NiAs phase is metallic and nonmagnetic, but the metastable zinc-blende phase exhibits half-metallic ferromagnetism with a magnetic moment of 1.00 mu(B) per formula unit. We also reveal that the half-metallicity in bulk ZB TiSb is lost at the Sb-terminated (001) surface due to the appearance of surface states within the gap of the minority-spin channel, but the Ti-terminated (001) surface retains the bulk half-metallicity, which makes ZB TiSb a promising candidate for the possible epitaxial growth of half-metallic thin films or multilayers on semiconductor substrates for spintronic applications. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4739744] |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/59955]  |
| 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,K. L. Yao. Bulk and surface half-metallicity: Metastable zinc-blende TiSb[J]. Journal of Applied Physics,2012,112(2). |
| APA | G. Y. Gao,&K. L. Yao.(2012).Bulk and surface half-metallicity: Metastable zinc-blende TiSb.Journal of Applied Physics,112(2). |
| MLA | G. Y. Gao,et al."Bulk and surface half-metallicity: Metastable zinc-blende TiSb".Journal of Applied Physics 112.2(2012). |
入库方式： OAI收割
来源：金属研究所
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