Electronic structure of semiconducting Ce Fe4 P12: Strong hybridization and relevance of single-impurity Anderson model

M. Matsunami; K. Horiba; M. Taguchi; K. Yamamoto; A. Chainani; Y. Takata; Y. Senba; H. Ohashi; M. Yabashi; K. Tamasaku; Y. Nishino; D. Miwa; T. Ishikawa; E. Ikenaga; K. Kobayashi; H. Sugawara; H. Sato; H. Harima; S. Shin

doi:10.1103/PhysRevB.77.165126

Electronic structure of semiconducting Ce Fe4 P12: Strong hybridization and relevance of single-impurity Anderson model

M. Matsunami, K. Horiba, M. Taguchi, K. Yamamoto, A. Chainani, Y. Takata, Y. Senba, H. Ohashi, M. Yabashi, K. Tamasaku, Y. Nishino, D. Miwa, T. Ishikawa, E. Ikenaga, K. Kobayashi, H. Sugawara, H. Sato, H. Harima, S. Shin

Department of Physics

Research output: Contribution to journal › Article › peer-review

11 Citations (Scopus)

Abstract

Semiconducting skutterudite Ce Fe4 P12 is investigated by synchrotron x-ray photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). Ce 3d core-level PES and 3d-4f XAS, in combination with single-impurity Anderson model (SIAM) calculations, confirm features due to f0, f1, and f2 configurations. The Ce 3d-4f resonant-PES spectra provide the Ce 4f density of states (DOS), which indicates the absence of a Kondo resonance at the Fermi level, but can still be explained by SIAM with a small gap in non- f DOS. While Ce 4f partial DOS from band structure calculations is consistent with the main Ce 4f DOS, the importance of SIAM for core-level PES and XAS spectra quantifies the mixed valence for semiconducting Ce Fe4 P12, derived from strong hybridization between non- f conduction and Ce 4f DOS.

Original language	English
Article number	165126
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	77
Issue number	16
DOIs	https://doi.org/10.1103/PhysRevB.77.165126
Publication status	Published - 2008 Apr 18

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.77.165126

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Matsunami, M., Horiba, K., Taguchi, M., Yamamoto, K., Chainani, A., Takata, Y., Senba, Y., Ohashi, H., Yabashi, M., Tamasaku, K., Nishino, Y., Miwa, D., Ishikawa, T., Ikenaga, E., Kobayashi, K., Sugawara, H., Sato, H., Harima, H., & Shin, S. (2008). Electronic structure of semiconducting Ce Fe4 P12: Strong hybridization and relevance of single-impurity Anderson model. Physical Review B - Condensed Matter and Materials Physics, 77(16), [165126]. https://doi.org/10.1103/PhysRevB.77.165126

Matsunami, M. ; Horiba, K. ; Taguchi, M. ; Yamamoto, K. ; Chainani, A. ; Takata, Y. ; Senba, Y. ; Ohashi, H. ; Yabashi, M. ; Tamasaku, K. ; Nishino, Y. ; Miwa, D. ; Ishikawa, T. ; Ikenaga, E. ; Kobayashi, K. ; Sugawara, H. ; Sato, H. ; Harima, H. ; Shin, S. / Electronic structure of semiconducting Ce Fe4 P12 : Strong hybridization and relevance of single-impurity Anderson model. In: Physical Review B - Condensed Matter and Materials Physics. 2008 ; Vol. 77, No. 16.

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title = "Electronic structure of semiconducting Ce Fe4 P12: Strong hybridization and relevance of single-impurity Anderson model",

abstract = "Semiconducting skutterudite Ce Fe4 P12 is investigated by synchrotron x-ray photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). Ce 3d core-level PES and 3d-4f XAS, in combination with single-impurity Anderson model (SIAM) calculations, confirm features due to f0, f1, and f2 configurations. The Ce 3d-4f resonant-PES spectra provide the Ce 4f density of states (DOS), which indicates the absence of a Kondo resonance at the Fermi level, but can still be explained by SIAM with a small gap in non- f DOS. While Ce 4f partial DOS from band structure calculations is consistent with the main Ce 4f DOS, the importance of SIAM for core-level PES and XAS spectra quantifies the mixed valence for semiconducting Ce Fe4 P12, derived from strong hybridization between non- f conduction and Ce 4f DOS.",

author = "M. Matsunami and K. Horiba and M. Taguchi and K. Yamamoto and A. Chainani and Y. Takata and Y. Senba and H. Ohashi and M. Yabashi and K. Tamasaku and Y. Nishino and D. Miwa and T. Ishikawa and E. Ikenaga and K. Kobayashi and H. Sugawara and H. Sato and H. Harima and S. Shin",

year = "2008",

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day = "18",

doi = "10.1103/PhysRevB.77.165126",

language = "English",

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Matsunami, M, Horiba, K, Taguchi, M, Yamamoto, K, Chainani, A, Takata, Y, Senba, Y, Ohashi, H, Yabashi, M, Tamasaku, K, Nishino, Y, Miwa, D, Ishikawa, T, Ikenaga, E, Kobayashi, K, Sugawara, H, Sato, H, Harima, H & Shin, S 2008, 'Electronic structure of semiconducting Ce Fe4 P12: Strong hybridization and relevance of single-impurity Anderson model', Physical Review B - Condensed Matter and Materials Physics, vol. 77, no. 16, 165126. https://doi.org/10.1103/PhysRevB.77.165126

Electronic structure of semiconducting Ce Fe4 P12 : Strong hybridization and relevance of single-impurity Anderson model. / Matsunami, M.; Horiba, K.; Taguchi, M.; Yamamoto, K.; Chainani, A.; Takata, Y.; Senba, Y.; Ohashi, H.; Yabashi, M.; Tamasaku, K.; Nishino, Y.; Miwa, D.; Ishikawa, T.; Ikenaga, E.; Kobayashi, K.; Sugawara, H.; Sato, H.; Harima, H.; Shin, S.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 77, No. 16, 165126, 18.04.2008.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Electronic structure of semiconducting Ce Fe4 P12

T2 - Strong hybridization and relevance of single-impurity Anderson model

AU - Matsunami, M.

AU - Horiba, K.

AU - Taguchi, M.

AU - Yamamoto, K.

AU - Chainani, A.

AU - Takata, Y.

AU - Senba, Y.

AU - Ohashi, H.

AU - Yabashi, M.

AU - Tamasaku, K.

AU - Nishino, Y.

AU - Miwa, D.

AU - Ishikawa, T.

AU - Ikenaga, E.

AU - Kobayashi, K.

AU - Sugawara, H.

AU - Sato, H.

AU - Harima, H.

AU - Shin, S.

PY - 2008/4/18

Y1 - 2008/4/18

N2 - Semiconducting skutterudite Ce Fe4 P12 is investigated by synchrotron x-ray photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). Ce 3d core-level PES and 3d-4f XAS, in combination with single-impurity Anderson model (SIAM) calculations, confirm features due to f0, f1, and f2 configurations. The Ce 3d-4f resonant-PES spectra provide the Ce 4f density of states (DOS), which indicates the absence of a Kondo resonance at the Fermi level, but can still be explained by SIAM with a small gap in non- f DOS. While Ce 4f partial DOS from band structure calculations is consistent with the main Ce 4f DOS, the importance of SIAM for core-level PES and XAS spectra quantifies the mixed valence for semiconducting Ce Fe4 P12, derived from strong hybridization between non- f conduction and Ce 4f DOS.

AB - Semiconducting skutterudite Ce Fe4 P12 is investigated by synchrotron x-ray photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). Ce 3d core-level PES and 3d-4f XAS, in combination with single-impurity Anderson model (SIAM) calculations, confirm features due to f0, f1, and f2 configurations. The Ce 3d-4f resonant-PES spectra provide the Ce 4f density of states (DOS), which indicates the absence of a Kondo resonance at the Fermi level, but can still be explained by SIAM with a small gap in non- f DOS. While Ce 4f partial DOS from band structure calculations is consistent with the main Ce 4f DOS, the importance of SIAM for core-level PES and XAS spectra quantifies the mixed valence for semiconducting Ce Fe4 P12, derived from strong hybridization between non- f conduction and Ce 4f DOS.

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DO - 10.1103/PhysRevB.77.165126

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JF - Physical Review B-Condensed Matter

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