Half-metallic ferrimagnetism in Mn2VAl

被引：203

作者：

Weht, R ^{[1
]}

Pickett, WE ^{[1
]}

机构：

[1] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA

来源：

PHYSICAL REVIEW B | 1999年 / 60卷 / 18期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevB.60.13006

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We show that Mn2VAl is a compound for which the generalized gradient approximation (GGA) to the exchange-correlation functional in density functional theory makes a qualitative change in predicted behavior compared to the usual local density approximation. Application of GGA leads to prediction of Mn2VAl being a half-metallic ferrimagnet, with the minority channel being the conducting one. The electronic and magnetic structure is analyzed and contrasted with the isostructural enhanced semimetal Fe2VAl. [S0163-1829(99)06941-6].

引用

收藏

页码：13006 / 13010

页数：5

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