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

Document Type

Article

Date of this Version

2012

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.