| Half-metallicity of (001), (110) and (111) surfaces of zinc-blende MnBi and their interfaces with HgTe: A first-principle investigation | |
| Al-zyadi, Jabbar M. Khalaf1; Abdul-Wahhab, Nihaya H.1; Yao, Kai-Lun2,3,4 | |
| Corresponding Author | Al-zyadi, Jabbar M. Khalaf(jabbar_alzyadi@yahoo.com) |
| 2018-01-15 | |
| Source Publication | JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
 |
| ISSN | 0304-8853 |
| Volume | 446Pages:221-230 |
| Abstract | 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. |
| Keyword | ZB MnBi Surface and interface First-principles calculations Half-metallic ferromagnets |
| DOI | 10.1016/j.jmmm.2017.09.039 |
| Indexed By | SCI |
| Language | 英语 |
| WOS Research Area | Materials Science ; Physics |
| WOS Subject | Materials Science, Multidisciplinary ; Physics, Condensed Matter |
| WOS ID | WOS:000414321000032 |
| Publisher | ELSEVIER SCIENCE BV |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/125298 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Al-zyadi, Jabbar M. Khalaf |
| Affiliation | 1.Univ Basrah, Coll Educ Pure Sci, Dept Phys, Basra, Iraq 2.Huazhong Univ Sci & Technol, Sch Phys, Wuhan 430074, Hubei, Peoples R China 3.Huazhong Univ Sci & Technol, Wuhan Natl High Magnet Field Ctr, Wuhan 430074, Hubei, Peoples R China 4.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Liaoning, Peoples R China |
| Recommended Citation 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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