FULL-POTENTIAL PHOTOEMISSION CALCULATIONS FOR THE SI(100) SURFACE

In this contribution, we have calculated angle-dependent photoelectron spectra from the Si(100) surface along the Gamma XWK bulk mirror plan e by excitation with unpolarized He-I radiation. For this theoretical investigation the full-potential photoemission theory has been used, w hich is a straightforward generalization of the one-step model of phot oemission in the case of anisotropic, space-filling cell potentials. T he crystal potential employed for the determination of the theoretical data has been calculated self-consistently within the full-potential Korringa-Kohn-Rostoker band structure method. The comparison with the corresponding experimental data shows a very good agreement for all bu lk transitions.