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

页码：16201 / 16213

页数：13

共 89 条

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