First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater-Pauling rule

CORC > 物理研究所 > 物理所公开发表论文 > 期刊论文

	First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater-Pauling rule
	Zhang, XM ; Dai, XF ; Chen, GF ; Liu, HY ; Luo, HZ ; Li, Y ; Wang, WH ; Wu, GH ; Liu, GD
刊名	COMPUTATIONAL MATERIALS SCIENCE
	2012
卷号	59 页码:1
关键词	HALF-METALLIC FERROMAGNETS MAGNETIC-PROPERTIES BAND-STRUCTURE ALLOYS PREDICTION MOMENT AL SI TI
ISSN号	0927-0256
通讯作者	Liu, GD: Hebei Univ Technol, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China.
中文摘要	We studied the electronic structure and magnetic properties of Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) by the first-principle calculations. We achieved three half-metallic ferrimagnets (HMFIs) in equilibrium lattice constants and one in a proper lattice distortion. The relationship between their Mt (the molecular magnetic moment) and Z(t) (the valence concentration) was investigated. It was found that the relationship do not agree with the Slater-Pauling rule. A discussion to Slater-Pauling rule was carried out and an extension form of Slater-Pauling rule for half-metallic Heusler compounds was given. (C) 2012 Elsevier B.V. All rights reserved.
收录类别	SCI
资助信息	National Natural Science Foundation of China [50901027, 50701015]; 100 Excellent Innovative Talents Programme of Hebei Province; Hebei Province Foundation for Returness
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/311004/38222]
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, XM,Dai, XF,Chen, GF,et al. First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater-Pauling rule[J]. COMPUTATIONAL MATERIALS SCIENCE,2012,59:1.
APA	Zhang, XM.,Dai, XF.,Chen, GF.,Liu, HY.,Luo, HZ.,...&Liu, GD.(2012).First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater-Pauling rule.COMPUTATIONAL MATERIALS SCIENCE,59,1.
MLA	Zhang, XM,et al."First-principle study for full-Heusler compounds V2YAl (Y = V, Cr, Mn, Fe, Co, Ni) and a discussion to Slater-Pauling rule".COMPUTATIONAL MATERIALS SCIENCE 59(2012):1.