Auger parameter shifts in the case of the non‐local screening mechanism: Applications of the electrostatic model to molecules, solids and adsorbed species

Abstract

AbstractA simple electrostatic model is applied to predict and rationalize the auger parameter shifts in molecules, solids and adsorbed species. The model is valid in the case of the non‐local screening mechanism, i.e. when the screening of the core hole is due to the polarization of the nearest‐neighbour ligands (no charge transfer from the ligands to localized electronic levels of the atom with the core hole, as occurs with the main peak of the core‐ionized heavier 3dn transition metal ions or the light lanthanide ions). To good approximation it is shown that: (1) the Auger parameter shift is a function of the number, distance, electronic polarizability and local symmetry of the first‐neighbour ligands of the core‐ionized atom; (2) the dipole–dipole interactions can play a key role in determining the extent of the extra‐atomic relaxation energy and hence of the Auger parameter shift.