Ab-initio calculations of the electronic and magnetic structures of Co2Cr1-xMnxSi alloys

被引：6

作者：

Abu Alhaj, B. ^{[1
]}

Hamad, B. ^{[1
]}

Khalifeh, J. ^{[1
]}

Shaltaf, R. ^{[1
]}

机构：

[1] Univ Jordan, Dept Phys, Amman 11942, Jordan

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2013年 / 336卷

关键词：

Heusler alloy; DFT; Half-metal; Energy gap; GENERALIZED GRADIENT APPROXIMATION; HEUSLER ALLOYS; MN; SEARCH; GA; GE; AL; CO; CR;

D O I：

10.1016/j.jmmm.2013.02.026

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The effect of alloying on the half-metallicity and magnetism of Co2Cr1-xMnxSi alloys (x=0-1) is studied using full-potential linearized augmented plane wave method. The calculations indicate that Co2Cr1-xMnxSi alloys are half-metallic within the whole studied range, such that replacement of Cr by Mn keeps the energy gap in the minority-spin band. With increasing Mn content, the total spin moment increases from 16 to 20 mu B/cell, which obeys the Slater-Pauling rule. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：37 / 43

页数：7

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