VALENCE-ELECTRON CONTRIBUTIONS TO THE ELECTRIC-FIELD GRADIENT AND THE CRYSTAL-FIELD AT RARE-EARTH SITES IN INTERMETALLIC COMPOUNDS

被引：72

作者：

COEHOORN, R

BUSCHOW, KHJ

机构：

[1] Philips Research Laboratories, 5600 JA Eindhoven

来源：

JOURNAL OF APPLIED PHYSICS | 1991年 / 69卷 / 08期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1063/1.347958

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

From first-principles band-structure calculations, the electric-field gradient V(zz) at Gd nuclei in Gd2Fe14B, Gd2Co14B, Gd2Fe17, Gd2Co17, GdCo5, GdNi5, GdFe3, and elemental Gd has been calculated. The crystal-field parameter A2(0) has been calculated for Gd2Fe14B. A2(0) and V(zz) are mainly determined by the asphericity of the charge density of the 5d and 6p valence shells of the Gd atoms. We discuss the validity of a frequently used proportionality relation between A2(0) and V(zz).

引用

页码：5590 / 5592

页数：3

共 14 条

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