Half-metallicity and magnetic properties of half-Heusler type Mn2Sn: Ab initio predictions | |
Luo, HZ ; Liu, GD ; Meng, FB ; Wang, WH ; Wu, GH ; Zhu, XX ; Jiang, CB | |
刊名 | PHYSICA B-CONDENSED MATTER |
2011 | |
卷号 | 406期号:22页码:4245 |
关键词 | ELECTRONIC-STRUCTURE 1ST PRINCIPLES 1ST-PRINCIPLES SPINTRONICS BEHAVIOR |
ISSN号 | 0921-4526 |
通讯作者 | Luo, HZ: Hebei Univ Technol, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China. |
中文摘要 | Ab initio calculation have been carried out to investigate the electronic structure and magnetism of the compound Mn2Sn with the bcc half-Heusler structure. For the equilibrium lattice parameter 5.69 angstrom, Mn2Sn is predicted to be a half-metallic fully compensated ferrimagnet (also called half-metallic antiferromagnet) with zero total spin moment. This zero moment agrees well the Slatter-Pauling curve and mainly comes from the compensated Mn (A) and Mn (B) spin moments in antiparallel configuration. The half-metallicity of Mn2Sn is stable in a wide lattice-parameter range from 5.6 angstrom to 5.9 angstrom. Upon contraction of the lattice, a transition from half-metallicity to semimetallicity is observed. (C) Elsevier B.V. All rights reserved. |
收录类别 | SCI |
资助信息 | National Natural Science Foundation of China [50901028, 50971130] |
语种 | 英语 |
公开日期 | 2013-09-17 |
内容类型 | 期刊论文 |
源URL | [http://ir.iphy.ac.cn/handle/311004/39062] |
专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
推荐引用方式 GB/T 7714 | Luo, HZ,Liu, GD,Meng, FB,et al. Half-metallicity and magnetic properties of half-Heusler type Mn2Sn: Ab initio predictions[J]. PHYSICA B-CONDENSED MATTER,2011,406(22):4245. |
APA | Luo, HZ.,Liu, GD.,Meng, FB.,Wang, WH.,Wu, GH.,...&Jiang, CB.(2011).Half-metallicity and magnetic properties of half-Heusler type Mn2Sn: Ab initio predictions.PHYSICA B-CONDENSED MATTER,406(22),4245. |
MLA | Luo, HZ,et al."Half-metallicity and magnetic properties of half-Heusler type Mn2Sn: Ab initio predictions".PHYSICA B-CONDENSED MATTER 406.22(2011):4245. |
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