First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb

doi:10.1016/j.physb.2011.01.031

IMR OpenIR

	First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb
	Huang, H. M.1; Luo, S. J.1; Yao, K. L.2,3
通讯作者	Huang, H. M.(smilehhm@163.com)
	2011-04-01
发表期刊	PHYSICA B-CONDENSED MATTER
ISSN	0921-4526
卷号	406 期号:8 页码:1368-1373
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.
关键词	First-principles Magnetic properties Half-metallic properties
资助者	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
DOI	10.1016/j.physb.2011.01.031
收录类别	SCI
语种	英语
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
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000289060100005
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：25[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/105884
专题	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.