Density functional for noncollinear magnetic systems

被引：29

作者：

Kleinman, L ^{[1
]}

机构：

[1] Univ Texas, Dept Phys, Austin, TX 78712 USA

来源：

PHYSICAL REVIEW B | 1999年 / 59卷 / 05期

关键词：

D O I：

10.1103/PhysRevB.59.3314

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Neither local-spin-density nor generalized-gradient approximation (GGA) calculations of gamma-Fe have produced the experimental wave vector of its spiral-spin-density-wave ground state. This we attribute to the fact that these approximations for exchange and correlation are oblivious to the noncollinear nature of the magnetization. We derive the form of an additional term in the density functional which eliminates this shortcoming of the local-spin-density approximation and the GGA. [S0163-1829(99)07305-1].

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页码：3314 / 3317

页数：4

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