RELATIVISTIC SPIN-POLARIZED SCATTERING-THEORY FOR SPACE-FILLING POTENTIALS

被引：40

作者：

LOVATT, SC ^{[1
]}

GYORFFY, BL ^{[1
]}

GUO, GY ^{[1
]}

机构：

[1] SERC,DARESBURY LAB,WARRINGTON WA4 4AD,CHESHIRE,ENGLAND

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1993年 / 5卷 / 43期

关键词：

D O I：

10.1088/0953-8984/5/43/014

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Relativistic potential scattering from non-spherically symmetric scatterers is studied and expressions for both charge and magnetization density are derived. The validity of full potential Korringer-Kohn-Rostoker (KKR) multiple-scattering theory for full potentials is asserted and a practical scheme for calculating the single-site t-matrix for the space-filling Wigner-Seitz cell is then described. Results, including full-potential band-structure calculations for silicon with an L(max) of two, three and four, are then presented.

引用

页码：8005 / 8030

页数：26

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