A simple correction for the parallax effect in X-ray pair distribution function measurements

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  • Frederick Peter Marlton
  • Oleh Ivashko, Deutsches Elektronen Synchrotron (DESY), Germany
  • Martin v. Zimmermann, Deutsches Elektronen Synchrotron (DESY), Germany
  • Olof Gutowski, Deutsches Elektronen Synchrotron (DESY), Germany
  • Ann-Christin Dippel, Deutsches Elektronen Synchrotron (DESY), Germany
  • Mads Ry Vogel Jørgensen

Total scattering and pair distribution function (PDF) analysis has created new insights that traditional powder diffraction methods have been unable to achieve in understanding the local structures of materials exhibiting disorder or complex nanostructures. Care must be taken in such analyses as subtle and discrete features in the PDF can easily be artefacts generated in the measurement process, which can result in unphysical models and interpretation. The focus of this study is an artefact called the parallax effect, which can occur in area detectors with thick detection layers during the collection of X-ray PDF data. This effect results in high-Q peak offsets, which subsequently cause an r-dependent shift in the PDF peak positions in real space. Such effects should be accounted for if a truly accurate model is to be achieved, and a simple correction that can be conducted via a Rietveld refinement against the reference data is proposed.

Original languageEnglish
JournalJournal of Applied Crystallography
Volume52
Issue5
Pages (from-to)1072-1076
Number of pages5
ISSN0021-8898
DOIs
Publication statusPublished - Oct 2019

    Research areas

  • Pair distribution function, Parallax effect, Total scattering, X-rays

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