Hösler, Wolfgang; Moritz, Wolfgang; Tamura, Eiiti; Feder, Roland
Influence of the scattering potential model on low energy electron diffraction from Cu(001)−c(2 × 2)-Pb.
In: Surface Science, Vol. 171, No. 1: pp. 55-68
A dynamical LEED intensity analysis is reported for Cu(001)−c(2 × 2)-Pb. The adsorbate layer distance from the substrate is determined as 2.29 Å, and the topmost interlayer spacing for the substrate is the same as in bulk Cu, in contrast to a contraction for clean Cu(001). This structural result is, within the accuracy reached, insensitive to changes in the assumed scattering potential models. The r-factors suggest a weak preference for an energy-dependent exchange correlation and a moderate one for adding a localized adsorption part inside the muffin-tin spheres. The sensitivity of spectra and r-factors to changes in the assumed isotropic Debye temperature for Pb suggests that vibrational anisotropy should be taken into account in order to improve the accuracy of the analysis. Calculated spin polarization spectra are very sensitive to the exchange approximation, the localized absorption and the Debye temperature. Together with experimental data, they should be useful in particular for determining the vibrational anisotropy.