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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