First-principles study of half-metallic properties of the Heusler alloy Ti2CoGe

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	First-principles study of half-metallic properties of the Heusler alloy Ti2CoGe
	H. M. Huang; S. J. Luo; K. L. Yao
	2012
发表期刊	Journal of Magnetism and Magnetic Materials
ISSN	0304-8853
卷号	324 期号:16 页码:2560-2564
摘要	First-principles calculations have been performed on the electronic structures and magnetic properties of a new Ti2Co-based full-Heusler alloy Ti2CoGe. The calculations predict the Ti2CoGe is a half-metallic ferromagnet at the equilibrium lattice constant with the minority-spin energy gap of 0.60 eV. It is found that the total magnetic moment (M-t) and the number of valence electrons (Z(t)) in Ti2CoGe obey a new Slater-Pauling (SP) rule of M-t=Z(t)-18 and the rule also can be applied to other Ti2Co-based half-metallic full-Heusler alloys. The Ti2CoGe alloy keeps a 100% polarization at Fermi level and maintains the half-metallic character for lattice constants ranging between 6.05 and 6.67 angstrom. (C) 2012 Elsevier B.V. All rights reserved.
部门归属	[huang, h. m.; luo, s. j.] hubei univ automot technol, sch sci, shiyan 442002, peoples r china. [yao, k. l.] huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china. [yao, k. l.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;huang, hm (reprint author), hubei univ automot technol, sch sci, shiyan 442002, peoples r china.;smilehhm@163.com
关键词	Heusler Alloy First-principles Half-metallicity Slater-pauling Behavior 1st Principles Electronic-structure Spin-polarization Ferrimagnetism Compound Ferromagnetism Spintronics Prediction Ga
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60009
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. M. Huang,S. J. Luo,K. L. Yao. First-principles study of half-metallic properties of the Heusler alloy Ti2CoGe[J]. Journal of Magnetism and Magnetic Materials,2012,324(16):2560-2564.
APA	H. M. Huang,S. J. Luo,&K. L. Yao.(2012).First-principles study of half-metallic properties of the Heusler alloy Ti2CoGe.Journal of Magnetism and Magnetic Materials,324(16),2560-2564.
MLA	H. M. Huang,et al."First-principles study of half-metallic properties of the Heusler alloy Ti2CoGe".Journal of Magnetism and Magnetic Materials 324.16(2012):2560-2564.