Site preference and electronic structure of Mn2RuSn: A theoretical study

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	Site preference and electronic structure of Mn2RuSn: A theoretical study
	Chen, JG ; Luo, HZ ; Jia, PZ ; Meng, FB ; Liu, GD ; Liu, EK ; Wang, WH ; Wu, GH
刊名	JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
	2014
卷号	365 页码:132
关键词	Heusler alloy Electronic structure Half-metal Site preference
ISSN号	0304-8853
通讯作者	Luo, HZ (reprint author), Hebei Univ Technol, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China.
中文摘要	The site preference, electronic structure and magnetism of a newly discovered Heusler alloy Mn2RuSn have been investigated. The Hg2CuTi-type (XA) structure is found to be energetically favored in Mn2RuSn. Mn2RuSn is a normal ferrimagnetic metal at equilibrium lattice constant, but with 2% contraction of the lattice, it becomes a half-metal with a spin moment of 2 mu(B). A tetragonal martensitic transformation is predicted in Mn2RuSn. The total moment of the tetragonal phase is near zero, which results in a large AM between the saturation moments of martensite and austenite. Finally, in tetragonal Mn2RuSn, a high spin polarization ratio of 93% is predicted. These properties make Mn2RuSn a potential candidate for spintronics materials. (C) 2014 Elsevier By. All rights reserved.
资助信息	National Natural Science Foundation of China [50901028, 51171056]; Natural Science Foundation of Hebei province [E2012202009]; Ministry of Education Program for New Century Excellent Talents [NCET-10-0126]
语种	英语
公开日期	2015-04-14
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/59204]
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	Chen, JG,Luo, HZ,Jia, PZ,et al. Site preference and electronic structure of Mn2RuSn: A theoretical study[J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,2014,365:132.
APA	Chen, JG.,Luo, HZ.,Jia, PZ.,Meng, FB.,Liu, GD.,...&Wu, GH.(2014).Site preference and electronic structure of Mn2RuSn: A theoretical study.JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,365,132.
MLA	Chen, JG,et al."Site preference and electronic structure of Mn2RuSn: A theoretical study".JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 365(2014):132.