Charlton, G., Howes, P.B., Muryn, C.A., Raza, H., Jones, N., Taylor, J.S.G., Norris, C., McGrath, R., Norman, D., Turner, Tracy and Thornton, G. (2000) Copper interface induced relaxation of TiO2(110)-1×1. Physical Review B, 61 (23). pp. 16117-16120. ISSN 1098-0121

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.

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