First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb
文献类型：期刊论文
| 作者 | Huang, H. M.1; Luo, S. J.1; Yao, K. L.2,3 |
| 刊名 | PHYSICA B-CONDENSED MATTER
 |
| 出版日期 | 2011-04-01 |
| 卷号 | 406期号:8页码:1368-1373 |
| ISSN号 | 0921-4526 |
| 关键词 | First-principles Magnetic properties Half-metallic properties |
| DOI | 10.1016/j.physb.2011.01.031 |
| 通讯作者 | Huang, H. M.(smilehhm@163.com) |
| 英文摘要 | The spin-polarized electronic band structures, density of states (DOS), and magnetic properties of Co-Mn-based Heusler alloys CoMnSb and Co2MnSb have been studied by first-principles method. The calculations were performed by using the full-potential linearized augmented plane wave (FP-LAPW) within the spin-polarized density functional theory and generalized gradient approximation (GGA). Calculated electronic band structures and the density of states are discussed in terms of the contribution of Co 3d(7)4s(2), Mn 3d(5)4s(2), and Sb 5s(2)5p(3) partial density of states and the spin magnetic moments were also calculated. The results reveal that both CoMnSb and Co2MnSb have stable ferromagnetic ground state. They are ideal half-metallic (HM) ferromagnet at their equilibrium lattice constants. The calculated total spin magnetic moments are 3 mu(B) for CoMnSb and 6 mu(B) for Co2MnSb per unit cell, which agree with the Slater-Pauling rule quite well. (C) 2011 Elsevier B.V. All rights reserved. |
| 资助项目 | National Natural Science Foundation of China[10974048] ; Excellent Middle Age and Youth People Science and Technology Creative Team Foundation of the Educational Department of the Hubei Province[T200805] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE BV |
| WOS记录号 | WOS:000289060100005 |
| 资助机构 | National Natural Science Foundation of China ; Excellent Middle Age and Youth People Science and Technology Creative Team Foundation of the Educational Department of the Hubei Province |
| 源URL | [http://ir.imr.ac.cn/handle/321006/105883]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Huang, H. M. |
| 作者单位 | 1.Hubei Univ Automot Technol, Sch Sci, Shiyan 442002, Peoples R China 2.Huazhong Univ Sci & Technol, Sch Phys, Wuhan 430074, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China |
| 推荐引用方式 GB/T 7714 | Huang, H. M.,Luo, S. J.,Yao, K. L.. First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb[J]. PHYSICA B-CONDENSED MATTER,2011,406(8):1368-1373. |
| APA | Huang, H. M.,Luo, S. J.,&Yao, K. L..(2011).First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb.PHYSICA B-CONDENSED MATTER,406(8),1368-1373. |
| MLA | Huang, H. M.,et al."First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb".PHYSICA B-CONDENSED MATTER 406.8(2011):1368-1373. |
入库方式： OAI收割
来源：金属研究所
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