EXACT TREATMENT OF POISSON EQUATION IN SOLIDS WITH SPACE-FILLING CELLS

被引：26

作者：

GONIS, A

SOWA, EC

STERNE, PA

机构：

来源：

PHYSICAL REVIEW LETTERS | 1991年 / 66卷 / 17期

关键词：

D O I：

10.1103/PhysRevLett.66.2207

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a new, rigorous treatment of Poisson's equation in solids with no shape approximation to the potential. In contrast to existing techniques, this method allows the unified treatment of periodic solids, as well as materials containing imperfections such as substitutional or interstitial impurities and disordered alloys. Explicit expressions for the potential and the Coulomb part of the energy are given. The validity and utility of this approach is demonstrated by numerical calculations.

引用

页码：2207 / 2210

页数：4

共 10 条

[1]

[Anonymous], 1975, CLASSICAL ELECTRODYN

[2]

Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253

[3] SIMPLIFICATION OF TOTAL-ENERGY AND PRESSURE CALCULATIONS IN SOLIDS [J].