Journal
PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 12, NO 6
Volume 12, Issue 6, Pages 818-821Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssc.201400252
Keywords
perovskite; unusual high valence; negative charge transfer; hard X-ray PES
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Funding
- Grants-in-Aid for Scientific Research [25620071] Funding Source: KAKEN
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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. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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