First-principles study on the half-metallicity of full-Heusler alloy Co2VGa (111) surface
文献类型：期刊论文
| 作者 | H. P. Han ; G. Y. Gao ; K. L. Yao |
| 刊名 | Journal of Applied Physics
 |
| 出版日期 | 2012 |
| 卷号 | 111期号:9 |
| ISSN号 | 0021-8979 |
| 关键词 | magnetic-properties ferromagnetism metal |
| 中文摘要 | A recent experimental study indicates that full-Heusler alloy Co2VGa exhibits half-metallic ferromagnetism and the magnetic moment measured at 5 K is independent of high pressure up to 12.1 kbar [T. Kanomata et al. Phys. Rev. B 82, 144415 (2010)]. Using the full potential linearized augmented plane-wave method, we here further investigate the structural, electronic, and magnetic properties of all possible (111) surfaces of Co2VGa. Both structural relaxation and calculated surface energy reveal that Ga-terminated surface is more stable than other terminations. From the analysis of the spin-polarized density of states, we find that the half-metallicity confirmed in bulk Co2VGa is lost at the Co-terminated surface but still maintained at the V- and Ga-terminated surfaces. Moreover, we also find that the atomic magnetic moments at the (111) surfaces are greatly different from the bulk values. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4716183] |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/59986]  |
| 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 | H. P. Han,G. Y. Gao,K. L. Yao. First-principles study on the half-metallicity of full-Heusler alloy Co2VGa (111) surface[J]. Journal of Applied Physics,2012,111(9). |
| APA | H. P. Han,G. Y. Gao,&K. L. Yao.(2012).First-principles study on the half-metallicity of full-Heusler alloy Co2VGa (111) surface.Journal of Applied Physics,111(9). |
| MLA | H. P. Han,et al."First-principles study on the half-metallicity of full-Heusler alloy Co2VGa (111) surface".Journal of Applied Physics 111.9(2012). |
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。