Theory of Metal-Insulator Transition in Praseodymium Skutterudite Compounds

被引：39

作者：

Harima, Hisatomo ^{[1
]}

Takegahara, Katsuhiko ^{[2
]}

Curnoe, Stephanie H. ^{[3
]}

Ueda, Kazuo ^{[3
]}

机构：

[1] Osaka Univ, Inst Sci & Ind Res, Ibaraki, Osaka 5670047, Japan

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

[3] Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2002年 / 71卷

关键词：

Skutterudite; metal-insulator transition; quadrupolar ordering; Fermi surface; LDA plus U method;

D O I：

10.1143/JPSJS.71S.70

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The metal-insulator transition of PrRu4P12 and the non-magnetic phase transition of PrFe4P12 are theoretically investigated. The nesting property of the Fermi surface with q = (1, 0, 0) is coupled, through Fe/Ru displacements, with anti-quadrupolar ordering at the phase transitions. Coupling between phonon modes of the displacements of the Fe/Ru ions and the Pr 4f(2) ground state doublet leads to a symmetry lowering (1, 1, 2) type distortion of the Fe/Ru positions and a simultaneous splitting of the 4f(2) doublet into cigenstates with. quadrupole moments 8. The sign of both the distortion and the quadrupole moment alternate from site to site, resulting in anti-quadrupolar ordering. The difference between these two compounds stems from another small Fermi surface in PrFe4P12; the presence of this hand would suppress the metal-insulator transition in PrFe4P12, even after the nesting effect is taken into account. Therefore, the low temperature state of PrFe4P12 is expected to remain metallic.

引用

页码：70 / 73

页数：4

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