Electronic structure of BaFeO3 studied by X‐ray spectroscopy

Wiley - Tập 12 Số 6 - Trang 818-821 - 2015
Masaichiro Mizumaki1,2, Hitoshi Fujii1,2, Kenji Yoshii3, Naoaki Hayashi4, Takashi Saito5,1, Yuichi Shimakawa5,1, Takayuki Uozumi6, Mikio Takano4
1Japan Science and Technology Agency, CREST, 5 bancho, Chiyoda-ku, Tokyo 102-0075, Japan
2Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5148, Japan
3Japan Atomic Energy Agency, Sayo, Hyogo 679-5148, Japan
4Institute for Integrated Cell-Material Sciences, Kyoto University, Kyoto, 606-8501, Japan
5Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan
6Osaka Prefecture University, Gakuen-cho 1-1, Naka-ku, Sakai, Osaka 599-8531, Japan

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Abstract

We investigated the electronic structure of BaFeO3 by using HAXPES and XAS measurements and first principle studies. The experimental and theoretical results indicated that BaFeO3 is a negative charge transfer compound. We concluded that the on‐site Coulomb energy and the strong hybridization between Fe‐3d and O‐2p orbitals play a very important role of emergence of negative charge transfer. And we found the new structure in the Fe‐2p XPS spectrum and concluded this structure is originated from non‐local screening. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Wiley

Tập 12 Số 6

818-821

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