X-RAY PHOTOELECTRON FORWARD SCATTERING AND SINGLE SCATTERING CLUSTER CALCULATIONS FOR V2O5(001)

Single scattering cluster calculations were performed for the V2p(3/2) photoelectron peak of a V2O5 (001) surface. They were compared with t he experimental diffraction pattern and with an X-ray Photoelectron Fo rward Scattering interpretation. The SSC calculations provide an exten sion of the FS approach by taking into account the contribution of int erference peaks, which led to a refined structural determination. A de viation between the experimental and theoretical pattern was revealed and an adjusted surface structure was suggested, based on SSC modellin g. Copyright (C) 1996 Elsevier Science Ltd