Crystal field splitting and optical bandgap of hexagonal LuFeO3 films

Abstract

Hexagonal LuFeO3 films have been studied using x-ray absorption and optical spectroscopy. The crystal splitting of Fe3+ is extracted as Ee′−Ee″=0.7 eV and Ea1′−Ee′=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 Ea1′>Ee′>Ee″ with slightly underestimated values and a bandgap of 1.35 eV.