Abstract
A strong debate exists in the literature concerning the adsorption sites of K atoms on the Si(001)2 × 1 surface at different K coverages. X-ray photoelectron diffraction (XPD) is a powerful tool for the study of local surface structures. Azimuthal K2p XPD simulations discussed for several positions and coverages of K on the Si(001)2 × 1 surface. Whereas in the standard calculation of XPD data the small scattering centre approximation is used, a curved wave theory is applied to the final state of photoelectrons in this paper. The study on a single-domain K/Si(001)2 × 1 surface should improve the knowledge on this surface essentially.
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