Prediction of half-metallic properties for the heusler alloys Mn(2)CrZ (Z = Al, Ga, Si, Ge, Sb): A first-principles study

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	Prediction of half-metallic properties for the heusler alloys Mn(2)CrZ (Z = Al, Ga, Si, Ge, Sb): A first-principles study
	Luo, HZ ; Zhu, ZY ; Liu, GD ; Xu, SF ; Wu, GH ; Liu, HY ; Qu, JP ; Li, YX
刊名	JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
	2008
卷号	320 期号:3-4 页码:421
ISSN号	0304-8853
中文摘要	First-principles FLAPW calculations were performed on the Mn(2)CrZ (Z Al, Ga, Si, Ge and Sb) alloys. Based on these results we predict two half-metallic ferromagnets (HMFs) namely Mn2CrAl and Mn2CrSb, and also find an energy gap in Mn2CrGa which lies near the Fermi level. The energy gap lies in the majority spin band for Mn2CrAl and Mn2CrGa, whereas in the minority one for Mn2CrSb. The calculated total spin magnetic moments M-t(cal) are -1 mu(B) per unit cell for Mn2CrAl and Mn2CrGa, + 1 mu B per unit cell for Mn2CrSb and zero for Mn2CrSi and Mn2CrGe, which agree with the Slater-Pauling rule. The calculation indicates a large and localized magnetic moment of Cr at B site. This is meaningful for searching for new half-metallic antiferromagnets in Heusler alloys. The magnetic moment of Cr is found to increase with increasing atomic number of Z and is antiparallel to that of Mn. The change of Mn and Cr spin moments compensates each other and keeps the total spin moment as an integer when the Z atom is changed. (c) 2007 Elsevier B.V. All rights reserved.
收录类别	SCI
公开日期	2013-09-24
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/51224]
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,Zhu, ZY,Liu, GD,et al. Prediction of half-metallic properties for the heusler alloys Mn(2)CrZ (Z = Al, Ga, Si, Ge, Sb): A first-principles study[J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,2008,320(3-4):421.
APA	Luo, HZ.,Zhu, ZY.,Liu, GD.,Xu, SF.,Wu, GH.,...&Li, YX.(2008).Prediction of half-metallic properties for the heusler alloys Mn(2)CrZ (Z = Al, Ga, Si, Ge, Sb): A first-principles study.JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,320(3-4),421.
MLA	Luo, HZ,et al."Prediction of half-metallic properties for the heusler alloys Mn(2)CrZ (Z = Al, Ga, Si, Ge, Sb): A first-principles study".JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 320.3-4(2008):421.