Extracting dynamic information from EXAFS: simultaneous analysis of multiple temperature-dependent data.

Abstract

A new approach to the extraction of dynamic information from extended X-ray absorption fine-structure (EXAFS) spectra has been developed. With this method, a complete set of temperature-dependent spectra are fit simultaneously to one of a variety of pair-distribution functions. Distributions are calculated in r-space using the appropriate absorber-scatterer pair potential. The temperature-dependent EXAFS spectra are calculated by summing k-space models over a range of distances and angles weighted according to the relative contribution of each geometry to the distribution. This approach allows refinement of data using a full multiple-scattering analysis with only modest computational time.

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Cite this paper

@article{Daly1998ExtractingDI, title={Extracting dynamic information from EXAFS: simultaneous analysis of multiple temperature-dependent data.}, author={Kathleen A. Daly and James E Penner-Hahn}, journal={Journal of synchrotron radiation}, year={1998}, volume={5 Pt 6}, pages={1383-9} }