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Multiple-scattering corrections to the extended x-ray absorption fine structure

Multiple-scattering corrections to the extended x-ray absorption fine structure Multiple-scattering corrections to the extended x-ray absorption fine structure (EXAFS) are investigated using exactly solvable, one-dimensional model systems with a Bloch wave basis, together with expansions appropriate to three dimensions. These one-dimensional models exhibit EXAFS analogous to that observed in real solids, yet their solutions lack many of the complications of full three-dimensional calculations. In particular the models enable one to examine to all orders forward multiple-scattering effects, which lead to nonphysical divergences in ordinary perturbation theory. We find that the exact EXAFS spectra are characterized by "renormalized" values of the electron wave number k and the phase shift δ . However, for the first shell, multiple-scattering effects are absent altogether, and the unrenormalized parameters are correct. Contrary to the situation in low-energy-electron diffraction, these renormalized values cannot in general be realized by suitable adjustment of the inner potential. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Multiple-scattering corrections to the extended x-ray absorption fine structure

Rehr, J. J; Stern, Edward A
Physical Review B , Volume 14 (10) – Nov 15, 1976
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Publisher
American Physical Society (APS)
Copyright
Copyright © 1976 The American Physical Society
ISSN
1095-3795
DOI
10.1103/PhysRevB.14.4413
Publisher site
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Abstract

Multiple-scattering corrections to the extended x-ray absorption fine structure (EXAFS) are investigated using exactly solvable, one-dimensional model systems with a Bloch wave basis, together with expansions appropriate to three dimensions. These one-dimensional models exhibit EXAFS analogous to that observed in real solids, yet their solutions lack many of the complications of full three-dimensional calculations. In particular the models enable one to examine to all orders forward multiple-scattering effects, which lead to nonphysical divergences in ordinary perturbation theory. We find that the exact EXAFS spectra are characterized by "renormalized" values of the electron wave number k and the phase shift δ . However, for the first shell, multiple-scattering effects are absent altogether, and the unrenormalized parameters are correct. Contrary to the situation in low-energy-electron diffraction, these renormalized values cannot in general be realized by suitable adjustment of the inner potential.

Journal

Physical Review B – American Physical Society (APS)

Published: Nov 15, 1976

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