Geometric and electronic structure of γ-V2O5: Comparison between α-V2O5 and γ-V 2O5

M. Willinger, N. Pinna, D. S. Su, R. Schlögl

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Abstract

Electronic structure calculations of γ-V2O5 are presented and compared to the electronic structure of the more commonly known α-V2O5. The different VO5 building blocks in γ-V2O5 are investigated in terms of the angular momentum projected density of states. Since the same structural unit is also found in the α-V2O5 phase, it is possible to compare the electronic structure with respect to differences in the geometry of the VO5 pyramids. Electron energy-loss spectroscopy is applied as a sensitive probe of the electronic structure and reveals differences in the fine structure of the oxygen K ionization edge which are confirmed by the simulation.

Original languageEnglish
Article number155114
Pages (from-to)155114-1-155114-7
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume69
Issue number15
DOIs
StatePublished - Apr 2004
Externally publishedYes

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