The screened intra-atomic correlation energy in transition-metal oxides
- 20 December 1987
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 20 (35) , L949-L952
- https://doi.org/10.1088/0022-3719/20/35/002
Abstract
An attempt has been made to calculate the screened intra-atomic Coulomb repulsion, based on a study of charge transfer due to covalent hybridisations between 3d and 2p levels. An expression has been found and applied to VO2, V2O3 and Ti2O3. Good quantitative agreement is obtained with previous estimates.Keywords
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