Copper interface induced relaxation of TiO2(110)-1×1

Surface x-ray diffraction has been used to examine the effect of a Cu overlayer on the bulk structural relaxations of TiO 2 (110)1×1). The Ti atoms at this buried interface are at close to their bulk-terminated positions, representing a derelaxation from the clean surface positions by up to about 0.2 Å. In contrast, O atom vertical and lateral displacements are enhanced, with values of up to 0.4±0.1 Å and 0.6±0.1 Å, respectively. This enhanced relaxation is consistent with Cu-O bonding.