A theoretical study of the electronic structure of Pd(111) clean surface

A detailed investigation of the electronic structure of Pd(l 11) clean surface is presented in terms of a LCAO band model. Results including surface bands and local densities of states are given and a comparison with recently performed photoemission experiments is presented. For hω = 21.2 eV we find that the angle resolved distribution curves can be explained in terms of initial state density and k_∥ conserving transitions. For lower photon energies a mixture of bulk transition calculations and surface density of states seems more appropriate. Comparison with previous theoretical work is also presented.