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

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arxiv 1210.0076 v1 pith:BLVLR5L2 submitted 2012-09-29 cond-mat.mtrl-sci cond-mat.str-el

classification cond-mat.mtrl-scicond-mat.str-el
keywords bandopticalcrystalfieldfilmshexagonallufeosplitting
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abstract

Hexagonal LuFeO$_3$ films have been studied using x-ray absorption and optical spectroscopy. The crystal splittings of Fe$^{3+}$ are extracted as $E_{e'}-E_{e"}$=0.7 eV and $E_{a_1'}-E_{e'}$=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 $E_{a_1'}>E_{e'}>E_{e"}$ with slightly underestimated values and a band gap of 1.35 eV.

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