Electronic structure of BaFeO3 studied by X‐ray spectroscopy. Issue 6 (30th March 2015)

• Record Type: Journal Article
• Authors: Mizumaki, Masaichiro; Fujii, Hitoshi; Yoshii, Kenji; Hayashi, Naoaki; Saito, Takashi; Shimakawa, Yuichi; Uozumi, Takayuki; Takano, Mikio; Tsuboi, Nozomu; Wakita, Kazuki; Yamada, Akira; Shirakata, Sho; Wada, Takahiro; Niki, Shigeru; Imaizumi, Mitsuru; Hara, Kazuhiko; Uchitomi, Naotaka
• Is Part Of: Physica status solidi. Volume 12:Issue 6(2015:Jun.)
• Page Start: 818
• Page End: 821
• Publication Date: 2015-03-30
• Subjects: Solid state physics -- Congresses; Solid state physics -- Periodicals; Solid state physics; Conference proceedings; Periodicals; 530.41
• DOI: 10.1002/pssc.201400252
• Languages: English
• ISSNs: 1862-6351

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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‐3<italic>d</italic> and O‐2<italic>p</italic> orbitals play a very important role of emergence of negative charge transfer. And we found the new structure in the Fe‐2<italic>p</italic> XPS spectrum and concluded this structure is originated from non‐local screening. (© 2015 WILEY‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)</p> </abstract>