4.6 Article

Spin-orbit coupling with ultrasoft pseudopotentials: Application to Au and Pt

期刊

PHYSICAL REVIEW B
卷 71, 期 11, 页码 -

出版社

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.71.115106

关键词

-

向作者/读者索取更多资源

We show how to include the spin-orbit coupling in electronic structure calculations of crystalline solids based on plane waves and ultrasoft pseudopotentials. The spin-orbit split electronic band structures of fcc-Au and of fcc-Pt are calculated by fully relativistic pseudopotentials derived from an atomic Dirac-like equation. The results are compared with accurate all-electron calculations available in the literature.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据