On the origin of the split-off conduction bands in V2O5
- 20 November 1981
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 14 (32), 4785-4795
- https://doi.org/10.1088/0022-3719/14/32/015
Abstract
The origin and nature of the two split-off conduction bands in V2O5 is studied by means of a decoupled effective tight-binding Hamiltonian for the conduction band. This method is first shown to give reliable results, provided all interactions are taken into account and a first-order correction for the energy dependence of the indirect interactions is applied. The split-off bands are found to be related to strong indirect V-V interactions across the bridge oxygens linking the double V-O chains in the crystal structure.Keywords
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