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

Bagus, Paul S.; Wieckowski, Andrzej; Freund, Hans-Joachim

doi:10.1016/j.cplett.2005.12.033

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

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Freund, Hans-Joachim
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Bagus, P. S., Wieckowski, A., & Freund, H.-J. (2006). Initial and final state contributions to binding-energy shifts due to lattice strain: Validation of Auger parameter analyses. Chemical Physics Letters, 420(1-3), 42-46. doi:10.1016/j.cplett.2005.12.033.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-053F-6

Abstract

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.