Fermi surface instability in Pr-based skutterudites

被引：101

作者：

Harima, H ^{[1
]}

Takegahara, K

机构：

[1] Osaka Univ, ISIR Sanken, Dept Condensed Matter Phys, Ibaraki, Osaka 5670047, Japan

[2] Hirosaki Univ, Dept Mat Sci & Technol, Hirosaki, Aomori 0368561, Japan

来源：

PHYSICA B-CONDENSED MATTER | 2002年 / 312卷

关键词：

skutterudite; Fermi surface; LDA plus U method;

D O I：

10.1016/S0921-4526(01)01268-6

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The Fermi surfaces are calculated for PrFe4P12, PrRu4P12 and PrRu4Sb12, by using an FLAPW and the LDA + U method within Im = (3) over bar structure, where Pr3+(4f(2)) is singlet. The result reveals that the instability of the Fermi surfaces is responsible to the structural phase transition observed in PrFe4P12 and PrRu4P12. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：843 / 845

页数：3

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