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

被引：46

作者：

Huang, H. M. ^{[1
]}

Luo, S. J. ^{[1
]}

Yao, K. L. ^{[2
,3
]}

机构：

[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

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2012年 / 324卷 / 16期

基金：

中国国家自然科学基金;

关键词：

Heusler alloy; First-principles; Half-metallicity; SLATER-PAULING BEHAVIOR; 1ST PRINCIPLES; ELECTRONIC-STRUCTURE; SPIN-POLARIZATION; FERRIMAGNETISM; COMPOUND; FERROMAGNETISM; SPINTRONICS; PREDICTION; GA;

D O I：

10.1016/j.jmmm.2012.03.047

中图分类号：

T [工业技术];

学科分类号：

08 ;

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.

引用

页码：2560 / 2564

页数：5

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