Electronic structure of Pd: Compton scattering, soft-x-ray emission and x-ray photoelectron spectra

Abstract

The electronic structure of Pd has been calculated in a self-consistent manner using the nonrelativistic augmented-plane-wave (APW) method and the Hedin-Lundqvist local-exchange-correlation approximation. Relativistic effects are discussed in terms of the relativistic Korringa-Kohn-Rostoker method for the self-consistent crystal potential. On the basis of the APW results theoretical intensities for the $L{\beta }_2$ emission spectrum and the Al-$K\alpha$ valence photoelectron spectrum have been calculated and are compared with results of previous experiments. Compton profiles for single-crystalline Pd have been measured and these are compared to the theoretical profiles, obtained from the APW crystal wave functions. In all cases the agreement with experiment is satisfactory.