Cyrstal field splitting and optical band gap of hexagonal LuFeO${}_3$ films

Abstract

Hexagonal LuFeO${}_3$ films have been studied using x-ray absorption and optical spectroscopy. The crystal splittings of Fe${}^{3+}$ are extracted as $E_{e^{\prime }}-E_{e"}$=0.7 eV and $E_{a_1^{\prime }}-E_{e^{\prime }}$=0.9 eV and a 2.0 eV optical band gap is determined assuming a direct gap. First-principles calculations confirm the experiments that the relative energies of crystal field splitting states do follow $E_{a_1^{\prime }}>E_{e^{\prime }}>E_{e"}$ with slightly underestimated values and a band gap of 1.35 eV.

References in corpus (3)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Hole-doping-induced changes in the electronic structure of La${}_{1-x}$Sr${}_x$FeO${}_3$ : soft x-ray photoemission and absorption study of epitaxial thin films

Cited by in corpus (4)

• Multiferroic hexagonal ferrites (h-RFeO${}_3$, R=Y, Dy-Lu): an experimental review
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• Effects of biaxial strain on the improper multiferroicity in h-LuFeO3 films
• Recent Progress on Multiferroic Hexagonal Rare-Earth Ferrites (h-RFeO3, R = Y,Dy-Lu)