Crystal field splitting and optical bandgap of hexagonal LuFeO3 films

Authors

Wenbin Wang, University of Tennessee, Knoxville
Hongwei Wang, Temple University
Xiaoying Xu, Oak Ridge National Laboratory
Leyi Zhu, Argonne National Laboratory
Lixin He, University of Science and Technology of China
Elizabeth Wills, Bryn Mawr College
Xuemei Cheng, Bryn Mawr College
David J. Keavney, Argonne National Laboratory
Jian Shen, University of Tennessee, Knoxville
Xifan Wu, Temple University
Xiaoshan Xu, University of Nebraska-LincolnFollow

Date of this Version

2012

Document Type

Article

Citation

APPLIED PHYSICS LETTERS 101, 241907 (2012)

Comments

Used by permission.

Abstract

Hexagonal LuFeO₃ films have been studied using x-ray absorption and optical spectroscopy. The crystal splitting of Fe³⁺ is extracted as E_e' - E_e" = 0.7 eV and E_a'1 - E_e' = 0.9 eV, and a 2.0 eV optical bandgap is determined assuming a direct gap. First-principles calculations confirm the experiments that the relative energies of crystal field splitting states do follow E_a'1 > E_e' > E_e" with slightly underestimated values and a bandgap of 1.35 eV.