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Abstract:
Using a decimation technique, and imposing electrostatic self-consistency, we compute the surface electronic structure of various CoSi2(111)/Si(111) phases. The projected band structures and LDOS indicate a richness of surface related features. For the (1×1)Co-rich termination excellent agreement with experimental data and a recent DFT investigation is obtained. Strongly localized surface states on the high chain atoms of the (2×1) Pandey-chain like reconstruction are identified as causing the experimentally observed surface topography induced contrast in Ballistic Electron Emission Microscopy (BEEM) images of such films.