Abstract
We apply density functional theory and the augmented spherical wave method to analyze the electronic structure of V 2O 3 in the vicinity of an interface to Al 2O 3. The interface is modeled by a heterostructure setup of alternating vanadate and aluminate slabs. We focus on the possible modifications of the V 2O 3 electronic states in this geometry, induced by the presence of the aluminate layers. In particular, we find that the tendency of the V 3 d states to localize is enhanced and may even cause a metal-insulator transition.
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