We investigated the electronic structure of perovskite SrFeO3-xFx (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 SrFeO2F film than for the LaFeO3 film. The DFT calculations suggested that the majority of FeO4F2 octahedra in the SrFeO2F 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 SrFeO2F film, and found them to be qualitatively consistent with the results of DFT-based calculations.
ASJC Scopus subject areas
- Physics and Astronomy(all)