4.5 Article

Analytic quadratic integration over the two-dimensional Brillouin zone

期刊

JOURNAL OF PHYSICS-CONDENSED MATTER
卷 14, 期 3, 页码 621-630

出版社

IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/14/3/329

关键词

-

向作者/读者索取更多资源

Brillouin-zone (BZ) integrations in systems with two-dimensional periodicity are discussed in the context of a method wherein the BZ is divided into simplices (triangles), and band energies and properties contributions are represented by quadratic interpolations based on six data points on the edges of each simplex. This paper describes a straightforward and easily implemented algorithm for identifying the paths bounding the occupied portion(s) of each simplex, and (in contrast to earlier work by others) provides completely analytic expressions, in closed form, for evaluating properties integrals over the occupied regions.

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

4.5
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