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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.

IMPACT FACTOR 2018: 1.090
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CiteScore 2018: 1.47

SCImago Journal Rank (SJR) 2018: 0.892
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Volume 225, Issue 2-3


Characteristics of precession electron diffraction intensities from dynamical simulations

Wharton Sinkler / Laurence D. Marks
  • 1 Northwestern University, Department of Materials Science and Engineering, Evanston IL , U.S.A.
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Published Online: 2010-04-16 | DOI: https://doi.org/10.1524/zkri.2010.1199


Precession Electron Diffraction (PED) offers a number of advantages for crystal structure analysis and solving unknown structures using electron diffraction. The current article uses many-beam simulations of PED intensities, in combination with model structures, to arrive at a better understanding of how PED differs from standard unprecessed electron diffraction. It is shown that precession reduces the chaotic oscillatory behavior of electron diffraction intensities as a function of thickness. An additional characteristic of PED which is revealed by simulations is reduced sensitivity to structure factor phases. This is shown to be a general feature of dynamical intensities collected under conditions in which patterns with multiple incident beam orientations are averaged together. A new and significantly faster method is demonstrated for dynamical calculations of PED intensities, based on using information contained in off-central columns of the scattering matrix.

Keywords: Precession electron diffraction; Bloch wave simulation; Multislice simulation; Electron diffraction

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* Correspondence address: UOP LLC, 50 E. Algonquin Rd., 60017-5017 Des Plaines, IL, U.S.A.,

Published Online: 2010-04-16

Published in Print: 2010-03-01

Citation Information: Zeitschrift für Kristallographie International journal for structural, physical, and chemical aspects of crystalline materials, Volume 225, Issue 2-3, Pages 47–55, ISSN (Print) 0044-2968, DOI: https://doi.org/10.1524/zkri.2010.1199.

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