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Calculation of positron states and annihilation in solids: A density-gradient-correction scheme

被引：222
作者：
Barbiellini, B
Puska, MJ
Korhonen, T
Harju, A
Torsti, T
Nieminen, RM
机构：
[1] Laboratory of Physics, Helsinki University of Technology
来源：
PHYSICAL REVIEW B | 1996年 / 53卷 / 24期
关键词：
D O I：
10.1103/PhysRevB.53.16201
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The generalized gradient correction method for positron-electron correlation effects in solids [B. Barbiellini et al., Phys. Rev. B 51, 7341 (1995)] is applied in several test cases. The positron lifetime, energetics, and momentum distribution of the annihilating electron-positron pairs are considered. The comparison with experiments shows systematic improvement in the predictive power of the theory compared to the local-density approximation results for positron states and annihilation characteristics.
引用
收藏
页码：16201 / 16213
页数：13
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