Half-metallicity of (001), (110) and (111) surfaces of zinc-blende MnBi and their interfaces with HgTe: A first-principle investigation
文献类型：期刊论文
| 作者 | Al-zyadi, Jabbar M. Khalaf3; Abdul-Wahhab, Nihaya H.3; Yao, Kai-Lun1,2,4 |
| 刊名 | JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
 |
| 出版日期 | 2018-01-15 |
| 卷号 | 446页码:221-230 |
| 关键词 | ZB MnBi Surface and interface First-principles calculations Half-metallic ferromagnets |
| ISSN号 | 0304-8853 |
| DOI | 10.1016/j.jmmm.2017.09.039 |
| 通讯作者 | Al-zyadi, Jabbar M. Khalaf(jabbar_alzyadi@yahoo.com) |
| 英文摘要 | A first-principle study of structural, electronic and magnetic properties of the bulk on (1 1 1), (1 1 0), and (0 0 1) surfaces of zinc-blende manganese bismuth and the MnBi/HgTe (0 0 1) and (1 1 0) interfaces is undertaken. In case of the bulk, the compound exhibits half-metallicity with an energy gap of 1.27 eV in the minority-spin direction at the equilibrium lattice constant of 6.412 angstrom. The results show that the half-metallicity of this bulk is well preserved on the surfaces considered here except for the Biterminated (0 0 1) and Mn-terminated (1 1 1) surfaces. Moreover, we find that the spin magnetic moments at the (1 1 1), (0 0 1) and (1 1 0) surfaces increase compared to those of the bulk MnBi, while they decrease on the (1 1 1), (0 0 1) and (1 1 0) subsurfaces. As we calculate the adhesion energy, it is found to be the most stable interface. We find out as will that the Bi-Te(0 0 1) configuration is the most stable between the two possible configurations of the MnBi/HgTe (0 0 1) interface. Regrettably, interfacial configurations show that the half-metallicity of bulk MnBi is ruined for all possible configurations. (C) 2017 Elsevier B.V. All rights reserved. |
| WOS研究方向 | Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000414321000032 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.imr.ac.cn/handle/321006/125299]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Al-zyadi, Jabbar M. Khalaf |
| 作者单位 | 1.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Liaoning, Peoples R China 2.Huazhong Univ Sci & Technol, Sch Phys, Wuhan 430074, Hubei, Peoples R China 3.Univ Basrah, Coll Educ Pure Sci, Dept Phys, Basra, Iraq 4.Huazhong Univ Sci & Technol, Wuhan Natl High Magnet Field Ctr, Wuhan 430074, Hubei, Peoples R China |
| 推荐引用方式 GB/T 7714 | Al-zyadi, Jabbar M. Khalaf,Abdul-Wahhab, Nihaya H.,Yao, Kai-Lun. Half-metallicity of (001), (110) and (111) surfaces of zinc-blende MnBi and their interfaces with HgTe: A first-principle investigation[J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,2018,446:221-230. |
| APA | Al-zyadi, Jabbar M. Khalaf,Abdul-Wahhab, Nihaya H.,&Yao, Kai-Lun.(2018).Half-metallicity of (001), (110) and (111) surfaces of zinc-blende MnBi and their interfaces with HgTe: A first-principle investigation.JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,446,221-230. |
| MLA | Al-zyadi, Jabbar M. Khalaf,et al."Half-metallicity of (001), (110) and (111) surfaces of zinc-blende MnBi and their interfaces with HgTe: A first-principle investigation".JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 446(2018):221-230. |
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来源：金属研究所
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