Oxygen vacancy effects on the Schottky barrier height at the Au/TiO2(100) interface: a first principle study

Motivated by the pioneering work of McFarland and Tang on multilayer photovoltaic devices, we discuss here structural and electronic properties of the Au/TiO2(110) interface for a coverage of 1 monolayer (1 ML) of gold, both for a stoichiometric and a reduced (Ti-rich) rutile surface. A detailed analysis of theSchottky barrier height for such systems is presented and the effects generated on this barrier by the presence of an oxygen vacancy (localized on the rutile support) are discussed.