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Substrate effects on V2O3 thin films |
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| Authors: | Udo Schwingenschlögl Raymond Frésard |
| Institution: | a ICCMP, Universidade de Brasília, 70904-970 Brasília, DF, Brazil b Theoretische Physik II, Institut für Physik, Universität Augsburg, Universitaetsstrasse 1, 86135 Augsburg, Germany c Laboratoire CRISMAT, UMR CNRS-ENSICAEN(ISMRA) 6508, and IRMA, FR3095, 14050 Caen, France d Center for Electronic Correlations and Magnetism, Institut für Physik, Universität Augsburg, 86135 Augsburg, Germany |
| Abstract: | We apply density functional theory and the augmented spherical wave method to analyze the electronic structure of V2O3 in the vicinity of an interface to Al2O3. The interface is modeled by a heterostructure setup of alternating vanadate and aluminate slabs. We focus on the possible modifications of the V2O3 electronic states in this geometry, induced by the presence of the aluminate layers. In particular, we find that the tendency of the V 3d states to localize is enhanced and may even cause a metal-insulator transition. |
| Keywords: | Density functional theory Electronic structure V2O3/Al2O3 heterostructure |
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