A FULLY SELF-CONSISTENT CALCULATION FOR POSITRON STATES - APPLICATION TO ALUMINUM

被引：4
|
作者：
WANG, XG
ZHANG, H
机构：
[1] Shanghai Inst. of Metall., Acad. Sinica
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 1990年 / 2卷 / 35期
关键词：
D O I：
10.1088/0953-8984/2/35/003
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
A fully self-consistent scheme based on the two-component density-functional theory and an embedded-cluster model within the framework of the discrete variational method has been developed for calculating positron states in solids. As an example, aluminium is tested. The changes of the electronic structures and positron states for an aluminium vacancy due to the electron-positron interaction are presented. The effects of the atomic relaxations on the positron annihilation characteristics are considered. The results are also compared with former calculations and the conventional scheme.
引用
收藏
页码：7275 / 7285
页数：11
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