The electronic structure of the Si(100)-(2 x 1) surface in the asymmetric dimer geometry was studied using the tight-binding scattering theoretical method for semi-infinite crystals based on a realistic bulk Si description. The results lent strong further support to the asymmetrical dimer model since they were in good agreement with all available photo-emission (ultra-violet and angle-resolved) spectroscopy data; thus resolving then outstanding discrepancies between previous theoretical results and experiment.

New Evidence for Asymmetric Dimer Reconstruction on the Si(100)-(2 x 1) Surface. A.Mazur, J.Pollmann: Physical Review B, 1982, 26, 7086-9