EFFICIENT BRILLOUIN-ZONE AVERAGING IN SURFACE FORCE CALCULATIONS

被引：2
|
作者：
FEIBELMAN, PJ
机构：
[1] Sandia National Laboratories, Albuquerque
来源：
PHYSICAL REVIEW B | 1992年 / 45卷 / 07期
关键词：
D O I：
10.1103/PhysRevB.45.3842
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Pulay corrections to the force components parallel to the plane of a crystal surface can be calculated simply, knowing only the wave functions corresponding to wave vectors in the irreducible portion of the surface Brillouin zone.
引用
收藏
页码：3842 / 3844
页数：3
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