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Origin of defect states on the surface of
Phys. Rev. B 31, 3369 – Published 15 March, 1985
DOI: https://doi.org/10.1103/PhysRevB.31.3369
Abstract
We have investigated the electronic structure of oxygen vacancies on (110), including atomic relaxation. The study of different defect sites shows that the experimentally observed gap state at 0.7 eV below the conduction-band edge is indeed due to an oxygen vacancy. This state, however, is not due to the removal of an O atom from a surface bridging site, as frequently proposed, but results from a subsurface oxygen vacancy. In this configuration, there is a maximum reduction of the screening between surface cations.
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