A tight-binding model of the oxygen-vacancy in SrTiO3
- 10 May 1983
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 16 (13), 2559-2568
- https://doi.org/10.1088/0022-3719/16/13/018
Abstract
Using a tight-binding parameterisation of the band structure of SrTiO3 together with the Green functions method, the authors calculate the energy levels of the oxygen vacancy. They show the ionic character of this defect and compare their results with previous calculation and experiments. They suggest an instability of the neutral and singly ionised vacancy with respect to polaron formation.Keywords
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