Using the scattering theoretical method, the changes in the electronic structure induced by ideal vacancies or divacancies in titanium dioxide were obtained. No defect states were found in the gap. The creation of a vacancy merely introduced O-p derived resonances into the valence band and Ti-d derived resonances into the conduction band, due to the reduction of cation coordination. These conclusions were similar to those obtained for ideal TiO2 surfaces.

Electronic Structure of Oxygen Vacancies in TiO2. Munnix, S., Schmeits, M.: Solid State Communications, 1984, 50[12], 1087-9