Analysis of multiple-scattering XAFS data using theoretical standards

M. Newville*, B. Ravel, D. Haskel, J. J. Rehr, E. A. Stern, Y. Yacoby

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

754 Scopus citations

Abstract

Theoretical standards for scattering amplitudes and phase shifts are often necessary for XAFS analysis, as for cases in which multiple scattering paths are important over the R-range of interest. Even when not necessary, they are often more convenient and reliable than experimental standards. We discuss several important considerations that must be taken into account to successfully compare ab initio theoretical calculations from FEFF to experimental XAFS spectra, and present a computer program, FEFFIT, to assist in using FEFF to get reliable information from experimental XAFS data.

Original languageEnglish
Pages (from-to)154-156
Number of pages3
JournalPhysica B: Condensed Matter
Volume208-209
Issue numberC
DOIs
StatePublished - 1 Mar 1995

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