Modeling of pair distribution functions for XAFS in disordered systems

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Modeling of pair distribution functions for XAFS in disordered systems

Yang, Dong S.; Fazzini, David R.; Morrison, Timothy I.; Tröger, Larc; Bunker, Grant

Journal of non-crystalline solids, 03/1997, Volume: 210, Issue: 2

Journal Article

A commonly used expression for modeling the XAFS of highly disordered systems is shown to generate substantial systematic errors in the coordination number in many cases of practical interest. This expression is corrected and generalized. Further, a simpler and more flexible model distribution is proposed, and the corresponding XAFS expression is derived. Comparison with experimental and simulated data show that the new expressions are useful in cases of high disorder for which the cumulant expansion loses its utility, and they explicitly account for the k-dependence of the mean free path.

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Yang, Dong S. | Fazzini, David R. | Morrison, Timothy I. | Tröger, Larc | Bunker, Grant

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