Electric field gradients in metals: correlation of experimental results with ab initio calculation

被引：19

作者：

Bastow, TJ

Burgar, MI

Maunders, C

机构：

[1] CSIRO, Div Mfg Sci & Technol, Clayton, Vic 3169, Australia

[2] Royal Melbourne Inst Technol, Dept Appl Phys, Melbourne, Vic 3001, Australia

来源：

SOLID STATE COMMUNICATIONS | 2002年 / 122卷 / 11期

关键词：

metals; electronic band structure; nuclear magnetic resonance;

D O I：

10.1016/S0038-1098(02)00160-6

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Electric field gradients (V-zz) in a number of metals, intermetallics and transition metal borides have been computed, using the density functional based electronic structure code WIEN 97, and compared with experimental values derived front nuclear magnetic resonance. The agreement between theory and experiment is better than 10% in almost all cases. (C) 2002 Elsevier Science Ltd. All rights reserved.

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收藏

页码：629 / 632

页数：4

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