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

Kazuaki Iwasa·Lijie Hao·Tomoo Hasegawa·Toshiaki Takagi·Kenji Horiuchi·Yoshiaki Mori·Youichi Murakami·Keitaro Kuwahara·Masahumi Kohgi·Hitoshi Sugawara·Shanta Ranjan Saha·Yuji Aoki·Hideyuki Sato
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Abstract

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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Kazuaki Iwasa, Lijie Hao, Tomoo Hasegawa, Toshiaki Takagi, Kenji Horiuchi, Yoshiaki Mori, Youichi Murakami, Keitaro Kuwahara, Masahumi Kohgi, Hitoshi Sugawara, Shanta Ranjan Saha, Yuji Aoki, Hideyuki Sato. 2005-05-05. Role of p-f Hybridization in the Metal-Non-Metal Transition of PrRu4P12. https://doi.org/10.1143/jpsj.74.1930

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