Partial densities of states from x-ray absorption and Auger electron spectroscopy: Use of core-hole memory.

ABSTRACT

Ag L 3 edge x-ray absorption and L 3 - M 4,5 M 4,5 Auger electron spectra have been measured and simulated for a variety of x-ray electric-field polarization and Auger electron emission directions. The theory relies on density-functional theory, use of the Bethe-Salpeter equation, atomic multiplet theory, and a simplified model for the Auger line shape and its dependence on photon energy. We also demonstrate that partial densities of states for d T 2g , d Eg , and s Ag symmetry partial-wave channels at the Ag site in the solid can be deduced from the experimental measurements with only atomic theoretical input, i.e., with no solid-state theory other than assuming a Fermi edge.