N6,7O4,5O4,5 Auger spectrum of metallic Au

Abstract
The spectral profiles of the N6,7 O4,5 O4,5 and N7 O4,5 O4,5 Auger transitions of metallic Au are calculated using a theory that gives a treatment of the influence of the 5d spin-orbit splitting on both the multiplet structure of localized [5d2] double-hole states and the [5d] single-hole states in the d band. It has not been possible to obtain simultaneous agreement in the kinetic energies and spectral profiles of the Auger spectra. The theoretical profile is in good agreement with the experimental N6,7 O4,5 O4,5 profile when the U(1 G4) correlation energy is taken to be 3.4 eV, though this predicts the spectrum to be 1.2 eV higher in kinetic energy than observed. Possible reasons for this discrepancy are discussed.