Conduction bands in the filled skutterudites

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Published 4 July 2003 Published under licence by IOP Publishing Ltd
, , Citation Hisatomo Harima and Katsuhiko Takegahara 2003 J. Phys.: Condens. Matter 15 S2081 DOI 10.1088/0953-8984/15/28/328

0953-8984/15/28/S2081

Abstract

Some filled skutterudite compounds have recently been found to exhibit very interesting properties: a metal–insulator transition (PrRu4P12), an antiferroquadrupole ordering and heavy-fermion behaviour under magnetic fields (PrFe4P12) and a new class of heavy-fermion superconductivity (PrOs4Sb12). Such varied and interesting physical properties are thought to reflect the Fermi surface properties. Band structure calculations have revealed the characteristics of the conduction bands. The main conduction band consisting of p orbitals of pnictogen surrounding the rare-earth ions has a nesting property, and strongly hybridizes with one of 4f electrons. One of the other conduction bands does not have mixing matrix elements with 4f electrons, resulting in the unique band structure in CeOs4Sb12.

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10.1088/0953-8984/15/28/328