Real-space multiple-scattering analysis of Ag L1- and L3-edge XANES spectra of Ag2O

Abstract

Real-space multiple-scattering analysis of Ag L1 and L3 edge XANES spectra of Ag2O was performed. The experiment is reproduced with sufficient accuracy provided that the scattering potential is taken from a selfconsistent molecular calculation. A non-selfconsistent potential produces a fairly accurate reproduction of the experiment as well, however, those results are a bit ambiguous to interpret close to the L3 edge. The L1 edge spectrum is much less sensitive both to the way of constructing the scattering potential and to presence or absence of the core hole than the L3 edge. At least fifteen atoms are needed to reproduce the main peaks at the L1 edge while just three atoms are enough to reproduce the appearance of the dominant structure of the L3 edge.