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 language | English |
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Article number | 155114 |
Pages (from-to) | 155114-1-155114-7 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 69 |
Issue number | 15 |
DOIs | |
State | Published - Apr 2004 |
Externally published | Yes |