The electronic structure of transition-metal impurities in SrTiO3
- 30 March 1988
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 21 (9) , 1779-1790
- https://doi.org/10.1088/0022-3719/21/9/017
Abstract
The electronic structure of transition-metal impurities is studied using a semi-empirical tight-binding parametrisation of the band structure of SrTiO3, together with the Green function method. The energy levels, with spin polarisation, are calculated for isolated chromium, manganese and cobalt, following previous work on iron and vanadium, together with their associated complex with an oxygen vacancy VO. For charge-transfer processes from valence band, the optical transition spectral shape is deduced and compared with experiments.Keywords
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