Fourier-transform analysis of normal photoelectron diffraction data for surface-structure determination.

A direct method for surface-structure determination from normal emission photoelectron diffraction (NPD) data is presented. Fourier transforms of the calculated NPD intensities yield peaks at adsorbate-substrate normal interlayer distances. Applications are demonstrated, using theoretical NPD curves for the Se/Ni system calculated by dynamical theory. These results show that interplanar spacings between the overlayer and as many as four substrate layers can be determined with an accuracy of better than 3%.