Role of p-f Hybridization in the Metal-Non-Metal Transition of PrRu4P12

Details Role of p-f Hybridization in the Metal-Non-Metal Transition of PrRu4P12 Role of p-f Hybridization in the Metal-Non-Metal Transition of PrRu4P12

2005-05-05

arxiv.org/abs/cond-mat/0505122v1

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 5 figures. Accepted by J. Phys. Soc. Jpn

Scientific paper

10.1143/JPSJ.74.1930

Electronic state evolution in the metal-non-metal transition of PrRu4P12 has been studied by X-ray and polarized neutron diffraction experiments. It has been revealed that, in the low-temperature non-metallic phase, two inequivalent crystal-field (CF) schemes of Pr3+ 4f^2 electrons with Gamma_1 and Gamma_4^(2) ground states are located at Pr1 and Pr2 sites forming the bcc unit cell surrounded by the smaller and larger cubic Ru-ion sublattices, respectively. This modulated electronic state can be explained by the p-f hybridization mechanism taking two intermediate states of 4f^1 and 4f^3. The p-f hybridization effect plays an important role for the electronic energy gain in the metal-non-metal transition originated from the Fermi surface nesting.

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