Substrate effects on V2O3 thin films

Udo Schwingenschloegl*, Raymond Frésard, Volker Eyert

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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 languageEnglish (US)
JournalSurface Science
Volume603
Issue number2
DOIs
StatePublished - 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

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