Initial and final state contributions to binding-energy shifts due to lattice strain: Validation of Auger parameter analyses

The validity of Auger parameter analyses to separate initial and final state contributions to core-level binding energy shifts in the growth of nanoparticles is tested; the specific concern is shifts due to lattice strain. Theoretical energies for the hole-states involved are used to avoid the approximations and assumptions normally required to justify the analyses. When the Auger transitions involve states with high lying d-holes, the Auger parameter analysis of the origin of the shifts is incorrect. When only core–hole Auger states are used, a suitable formulation will accurately reproduce the initial state origin of shifts due to lattice strain.