Zinc-blende compounds of transition elements with N, P, As, Sb, S, Se, and Te as half-metallic systems

被引：366

作者：

Galanakis, I ^{[1
]}

Mavropoulos, P ^{[1
]}

机构：

[1] Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany

来源：

PHYSICAL REVIEW B | 2003年 / 67卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.67.104417

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report systematic first-principles calculations for ordered zinc-blende compounds of the transition metal elements V, Cr, and Mn with the sp elements N, P, As, Sb, S, Se, and Te, motivated by a recent fabrication of zinc-blende CrAs, CrSb, and MnAs. They show a ferromagnetic half-metallic behavior for a wide range of lattice constants. We discuss the origin and trends of half-metallicity, present the calculated equilibrium lattice constants, and examine the half-metallic behavior of their transition element terminated (001) surfaces.

引用

页数：8

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