Charge models for electron spectroscopy of disordered alloys

T. L. Underwood, P. D. Lane, N. Miller, R. Stoker, R. J. Cole

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

Disorder broadening can be observed in the core photoelectron spectra of metallic alloys. This effect can be simulated using a model in which site charges are assumed to be proportional to number of "unlike" atoms in the nearest-neighbor shell. This linear charge model (LCM) gives a sensible description of the variation in Madelung potential in disordered alloys and is reasonably self-consistent but significantly overestimates core disorder broadening as compared with ab initio core eigenvalue calculations and experimental core-level binding-energy measurements. Two generalizations of the LCM are investigated: an electronegativity model, in which charge is exchanged between unlike nearest neighbors in a nonlinear fashion, and a linear multishell model. Analytical and computational results are presented in each case and the implications for the analysis of core-level photoelectron spectra are discussed.

Original languageEnglish
Article number024203
Pages (from-to)-
Number of pages8
JournalPhysical review B
Issue number2
Publication statusPublished - Jan 2009


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