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Zeitschrift für Kristallographie - Crystalline Materials

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Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Tiekink, E. R. T.


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Characteristics of precession electron diffraction intensities from dynamical simulations

Wharton Sinkler* / Laurence D. Marks1

1 Northwestern University, Department of Materials Science and Engineering, Evanston IL , U.S.A.

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

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: 10.1524/zkri.2010.1199, April 2010

Publication History

Published Online:
2010-04-16

Abstract

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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[1]
Lukáš Palatinus, Damien Jacob, Priscille Cuvillier, Mariana Klementová, Wharton Sinkler, and Laurence D. Marks
Acta Crystallographica Section A Foundations of Crystallography, 2013, Volume 69, Number 2, Page 171
[2]
Yifeng Liao and Laurence D. Marks
Ultramicroscopy, 2013, Volume 126, Page 19
[3]
Yifeng Liao and Laurence D. Marks
Ultramicroscopy, 2012, Volume 117, Page 1
[4]
Y. Liao, R. Pourzal, P. Stemmer, M.A. Wimmer, J.J. Jacobs, A. Fischer, and L.D. Marks
Journal of the Mechanical Behavior of Biomedical Materials, 2012, Volume 12, Page 39
[5]
Mauro Gemmi, Italo Campostrini, Francesco Demartin, Tatiana E. Gorelik, and Carlo Maria Gramaccioli
Acta Crystallographica Section B Structural Science, 2012, Volume 68, Number 1, Page 15

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