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Hongwei Liu1, Keita Nomoto2,3, Anna V Ceguerra1,2

  • 1Australian Centre for Microscopy and Microanalysis, University of Sydney, Sydney, New South Wales 2006, Australia.

Journal of Applied Crystallography
|June 7, 2023
PubMed
Summary
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A new software tool, EDP2PDF, enables accurate atomic structure analysis from electron diffraction patterns (EDPs) using pair distribution function (PDF) analysis. This method offers high spatial resolution for both periodic and amorphous materials.

Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Crystallography

Background:

  • Pair distribution function (PDF) analysis is crucial for understanding atomic-scale structures in materials.
  • Traditional X-ray diffraction (XRD)-based PDF analysis lacks high spatial resolution.
  • Transmission electron microscopy (TEM) coupled with electron diffraction patterns (EDPs) offers localized structural insights.

Purpose of the Study:

  • To introduce a novel software tool, EDP2PDF, for calculating PDF from EDPs.
  • To address practical challenges in processing EDPs for PDF analysis.
  • To enable accurate structural analysis of both periodic and amorphous materials using electron diffraction.

Main Methods:

  • Development of the EDP2PDF software incorporating a nonlinear iterative peak-clipping algorithm for accurate background subtraction.
Keywords:
computer programselectron diffraction patternspair distribution functions

Related Experiment Videos

  • Automatic conversion of diverse diffraction intensity profiles into PDF data.
  • Evaluation of the impact of background subtraction and elliptical distortion on PDF profiles.

    • Main Results:

    • The EDP2PDF software provides accurate background subtraction for EDPs.
    • The software automatically processes various diffraction intensity profiles into PDF data.
    • The study quantifies the effects of background subtraction and elliptical distortion on PDF results.

    Conclusions:

    • EDP2PDF is a reliable and efficient tool for atomic structure analysis of crystalline and non-crystalline materials.
    • The software enhances the utility of PDF analysis from electron diffraction data.
    • Accurate background subtraction and consideration of EDP distortions are critical for reliable PDF analysis.