Atomic site occupation determined by magnetism in the Heusler alloy Mn2CoGa doped with Cr

CORC > 物理研究所 > 物理所公开发表论文 > 期刊论文

	Atomic site occupation determined by magnetism in the Heusler alloy Mn2CoGa doped with Cr
	Zhang, YJ ; Li, GJ ; Liu, EK ; Chen, JL ; Wang, WH ; Meng, FB ; Wu, GH
刊名	PHYSICA B-CONDENSED MATTER
	2014
卷号	454 页码:1
关键词	Heusler alloy Magnetic properties Atomic configuration Covalent bonding
ISSN号	0921-4526
通讯作者	Wu, GH (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.
中文摘要	The atomic configuration and magnetic properties of Mn2CoMxGa1-x(M=Cr and Ni) Hensler alloys have been investigated by experiments and calculations. Doping with Ni leads to a magnetic moment change of 5.92 mu(B)/atom, giving rise to a local FM structure in the ferrimagnetic matrix. On the other hand, a moment change of 3.61 mu(B)/atom is experimentally observed in Cr-doped alloys, which is very large compared with the atomic moment of about 2 mu(B)/Cr atom in other Hensler alloys. Electronic-structure calculations are presented which indicate that, in contrast with Ni-doped alloys, the magnetism favors the doped Cr atoms to occupy unusual atomic sites. This is opposite to the effect of the covalent bonding in Ni-doped alloys and disobeys the empirical site-occupation rule for Hensler alloys. Due to the difference in electronegativity of the dopants, the covalent bonding in Mn2CoGa doped with Ti, V and Cr is weaker than in alloys doped with Fe, Co and Ni. Because Cr has a higher magnetic moment than Ti and V, the magnetism determines, in this weak-covalent environment, an atomic site occupation by Cr which does not obey the empirical rule. This provides clear evidence for the impact of magnetism on the crystalline structure of Hensler alloys. (C) 2014 Elsevier B.V. All rights reserved.
资助信息	National Natural Science Foundation of China [51031004]; National Basic Research Program of China (973 Program) [2009CB929501]
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/311004/59437]
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	Zhang, YJ,Li, GJ,Liu, EK,et al. Atomic site occupation determined by magnetism in the Heusler alloy Mn2CoGa doped with Cr[J]. PHYSICA B-CONDENSED MATTER,2014,454:1.
APA	Zhang, YJ.,Li, GJ.,Liu, EK.,Chen, JL.,Wang, WH.,...&Wu, GH.(2014).Atomic site occupation determined by magnetism in the Heusler alloy Mn2CoGa doped with Cr.PHYSICA B-CONDENSED MATTER,454,1.
MLA	Zhang, YJ,et al."Atomic site occupation determined by magnetism in the Heusler alloy Mn2CoGa doped with Cr".PHYSICA B-CONDENSED MATTER 454(2014):1.