Experimental and theoretical investigation of electronic structure of SrFeO₃₋ _xF_x epitaxial thin films prepared via topotactic reaction

• Tsukasa Katayama

• Akira Chikamatsu

• Hideyuki Kamisaka

• Hiroshi Kumigashira

• Tetsuya Hasegawa

Abstract

We investigated the electronic structure of perovskite SrFeO 3− x F x (0.6 ≤ x ≤ 1) films by optical absorption, photoemission, and X-ray absorption spectroscopies, as well as density functional theory (DFT)-based calculations. The optical bandgap expanded with x , yielding a wider direct bandgap for the SrFeO 2 F film than for the LaFeO 3 film. The DFT calculations suggested that the majority of FeO 4 F 2 octahedra in the SrFeO 2 F film had cis configurations and that the enlarged bandgap mainly originated from bond bending in the O–Fe–O chains. We experimentally observed the valence and conduction bands of the SrFeO 2 F film, and found them to be qualitatively consistent with the results of DFT-based calculations.

Journal

• Applied Physics Express

  Applied Physics Express 9 (2), 025801-, 2016-01-08

  IOP Publishing

Keywords

• General Physics and Astronomy
• General Engineering

Details

• CRID: 1360846646289017344
• NII Article ID: 210000137799
• DOI: 10.7567/apex.9.025801
• ISSN: 18820786
• ISSN: 18820778
• Web Site: https://iopscience.iop.org/article/10.7567/APEX.9.025801
• Web Site: https://iopscience.iop.org/article/10.7567/APEX.9.025801/pdf
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