Electronic structure of Ce-filled skutterudites

被引：150

作者：

Nordstrom, L ^{[1
]}

Singh, DJ ^{[1
]}

机构：

[1] USN,RES LAB,COMPLEX SYST THEORY BRANCH,WASHINGTON,DC 20375

来源：

PHYSICAL REVIEW B | 1996年 / 53卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.53.1103

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure of CeFe4P12 and CeFe4Sb12 have been studied with density-functional calculations. Both are small band-gap semiconductors within the local-density approximation. The Ce is near trivalent in both compounds, and the Ce 4f states hybridize strongly with both Fe 3d and pnictogen p states in the vicinity of the Fermi energy. The band gaps are the result of this hybridization.

引用

页码：1103 / 1108

页数：6

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