Substrate effects on V2O3 thin films

Udo Schwingenschlögl; Raymond Frésard; Volker Eyert

doi:10.1016/j.susc.2008.11.033

Substrate effects on V₂O₃ thin films

Udo Schwingenschlögl^*, Raymond Frésard, Volker Eyert

^*Corresponding author for this work

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4 Scopus citations

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.

Original language	English (US)
Pages (from-to)	L19-L21
Journal	Surface Science
Volume	603
Issue number	2
DOIs	https://doi.org/10.1016/j.susc.2008.11.033
State	Published - Jan 15 2009

Keywords

Density functional theory
Electronic structure
VO/AlO heterostructure

ASJC Scopus subject areas

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

Access to Document

10.1016/j.susc.2008.11.033

Cite this

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AU - Schwingenschlögl, Udo

AU - Frésard, Raymond

AU - Eyert, Volker

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N2 - 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.

AB - 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.

KW - Density functional theory

KW - Electronic structure

KW - VO/AlO heterostructure

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