BAND-STRUCTURE AND SEMICONDUCTING PROPERTIES OF FESI

被引：209

作者：

MATTHEISS, LF

HAMANN, DR

机构：

[1] ATandT Bell Laboratories, Murray Hill

来源：

PHYSICAL REVIEW B | 1993年 / 47卷 / 20期

关键词：

D O I：

10.1103/PhysRevB.47.13114

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The results of linear augmented-plane-wave band calculations for cubic FeSi, carried out in the local-density approximation, predict a small (approximately 0.11 eV) indirect semiconductor gap which agrees well with empirical estimates (approximately 0.13 eV). The origin of this gap, which occurs within the Fe (3d) manifold, can be traced to a pseudogap that is present in the reference rocksalt phase that underlies the lower-symmetry FeSi structure. The relationship between the FeSi band structure and several types of many-body correlation mechanisms that have been advanced to explain its anomalous temperature-dependent magnetic properties is discussed.

引用

页码：13114 / 13119

页数：6

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