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Muffin tin potentials in EXAFS analysis

Published

Author(s)

Bruce D. Ravel

Abstract

Muffin tin potentials are the standard tool for calculating the potential surface of a cluster of atoms for use in the analysis of extended x-ray-absorption fine-structure (EXAFS) data. The set of Cartesian coordinates used to define the positions of atoms in the cluster and to calculate the muffin tin potentials are commonly also used to enumerate the scattering paths used in the EXAFS data analysis. In this paper, it is shown that these muffin tin potentials are sufficiently robust to be used to examine quantitatively contributions to the EXAFS data from scattering geometries not represented in the original cluster.
Citation
Journal of Synchrotron Radiation
Volume
22

Keywords

EXAFS, real space multiple scattering, data analysis, muffin tin potential

Citation

Ravel, B. (2015), Muffin tin potentials in EXAFS analysis, Journal of Synchrotron Radiation, [online], https://doi.org/10.1107/S1600577515013521, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=918025 (Accessed March 5, 2024)
Created September 1, 2015, Updated October 13, 2022