The polar (110) surface was investigated by using an advanced quantum-chemical semi-empirical method. The O vacancies and F centers (2 electrons trapped at an O vacancy) were included in order to obtain basic information on the structural and electronic properties due to the presence of these point defects. Studies were carried out for cubic and tetragonal lattices.

A Quantum-Chemical Study of Polar SrTiO3(110) Surface and Oxygen-Vacancy Defects Therein. A.Stashans, S.Serrano: Surface Science, 2002, 497[1-3], 285-93