Role of p-f hybridization in the metal-nonmetal transition of PrRu4P12

Electronic state evolution in the metal-nonmetal transition of PrRu4P12 has been studied by X-ray and polarized neutron diffraction experiments. It has been revealed that, in the low-temperature nonmetallic phase, two inequivalent crystal-field (CF) schemes of Pr3+ 4f2 electrons with Γ1 and Γ4(2) gr...

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Published in:Journal of the Physical Society of Japan Vol. 74; no. 7; pp. 1930 - 1933
Main Authors: IWASA, Kazuaki, HAO, Lijie, SAHA, Shanta Ranjan, AOKI, Yuji, SATO, Hideyuki, HASEGAWA, Tomoo, TAKAGI, Toshiaki, HORIUCHI, Kenji, MORI, Yoshiaki, MURAKAMI, Youichi, KUWAHARA, Keitaro, KOHGI, Masahumi, SUGAWARA, Hitoshi
Format: Journal Article
Language:English
Published: Tokyo Institute of Pure and Applied Physics 01-07-2005
Physical Society of Japan
The Physical Society of Japan
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Summary:Electronic state evolution in the metal-nonmetal transition of PrRu4P12 has been studied by X-ray and polarized neutron diffraction experiments. It has been revealed that, in the low-temperature nonmetallic phase, two inequivalent crystal-field (CF) schemes of Pr3+ 4f2 electrons with Γ1 and Γ4(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 4f1 and 4f3. The p-f hybridization effect plays an important role in the electronic energy gain in the metal-nonmetal transition originated from the Fermi surface nesting.
ISSN:0031-9015
1347-4073
DOI:10.1143/jpsj.74.1930