Single and multiple scattering XAFS in BaZrO3: A comparison between theory and experiment

D. Haskel, B. Ravel, M. Newville, E. A. Stern

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

A comparison between theory and experiments is made for the XAFS of the Zr and Ba K-edges in BaZrO3. BaZrO3 is chosen because of its simple and well-understood structure but combines metallic atoms with oxygens. It is found that adding phase corrections to the theoretical XAFS significantly improves the accuracy of the structural parameters. These corrections are changes in the core electron threshold energy E0 for each single scattering path involving a different type of backscattering atom. This, together with the fact that no corrections were needed for pure metal Cu, suggests that the phase corrections needed are due to charge distribution effect which are neglected in the theory.

Original languageEnglish
Pages (from-to)151-153
Number of pages3
JournalPhysica B: Condensed Matter
Volume208-209
Issue numberC
DOIs
StatePublished - 1 Mar 1995
Externally publishedYes

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