Zeitschrift für Kristallographie - Crystalline Materials
Editor-in-Chief: Pöttgen, Rainer
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
1 Northwestern University, Department of Materials Science and Engineering, Evanston 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
- Published Online:
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.
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