First-principles calculations of absolute concentrations and self-diffusion constants of vacancies in lithium

被引：92

作者：

Frank, W ^{[1
]}

Breier, U ^{[1
]}

Elsasser, C ^{[1
]}

Fahnle, M ^{[1
]}

机构：

[1] MAX PLANCK INST MET RES, INST PHYS, D-70569 STUTTGART, GERMANY

来源：

PHYSICAL REVIEW LETTERS | 1996年 / 77卷 / 03期

关键词：

D O I：

10.1103/PhysRevLett.77.518

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

For lithium the absolute concentrations of thermal monovacancies and the self-diffusion constants via vacancies are calculated ab initio using the local-density approximation in combination with the transition-state theory of diffusion, The diffusion data are in good agreement with experimental data for high temperatures.

引用

页码：518 / 521

页数：4

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