A first-principle study on the properties of a new series of quaternary Heusler alloys CoFeScZ (Z=P, As, Sb)

被引：54

作者：

Gao, Qiang ^{[1
]}

Li, Lei ^{[1
]}

Lei, Gang ^{[1
]}

Deng, Jian-Bo ^{[1
]}

Hun, Xian-Ru ^{[1
]}

机构：

[1] Lanzhou Univ, Sch Phys Sci & Technol, Lanzhou 730000, Peoples R China

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2015年 / 379卷

关键词：

First-principle; Quaternary Heusler alloy; Magnetic property; Electronic structure; SLATER-PAULING BEHAVIOR; ELECTRONIC-STRUCTURE; MAGNETIC-PROPERTIES; HALF-METALLICITY; BAND-STRUCTURE; GE; TRANSFORMATION; NI2MNIN; CO2MNGA; SI;

D O I：

10.1016/j.jmmm.2014.12.025

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structures and magnetic properties of a new series of quaternary Heusler alloys CoFeScZ (Z=P, As, Sb) are investigated through first-principle calculations. CoFeScP is found to have half-metallic ferromagnetism with a large half-metallic gap of 0.60 eV. The results show that both CoFeScAs and CoFeScSb are nearly half-metal under the equilibrium lattice constants. The change of the properties of CoFeScAs and CoFeScSb with pressure is investigated. (C) 2014 Elsevier B.V. All rights reserved,

引用

页码：288 / 293

页数：6

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