Electronic surface structure of CoSi 111/rSi 111/: implications 2 for ballistic electron-emission microscopy currents

Using a decimation technique, and imposing electrostatic self-consistency, we compute the surface electronic structure of various CoSi2 111.rSi 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. q2000 Published by Elsevier Science B.V.