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Titolo
A single slice approach for simulating two-beam electron diffraction of nanocrystals
Autor(es)
Soggetto
Electron diffraction simulation
Shape factor
Dynamical diffraction
Electron precession
Clasificación UNESCO
2303 Química Inorgánica
2203.06 Transporte de Electrones
Fecha de publicación
2018
Editore
Elsevier
Citación
Gontard, L.C., Barroso-Bogeat, A.,Dunin-Borkowski, R.E., Calvino, J.J. (2018). A single slice approach for simulating two-beam electron diffraction of nanocrystals, Ultramicroscopy, 195 pp 171-188. https://doi.org/10.1016/j.ultramic.2018.09.004
Resumen
[EN] A simple computational method that can be used to simulate TEM image contrast of an electron beam diffracted
by a crystal under two-beam dynamical scattering conditions is presented. The approach based on slicing the
shape factor is valid for a general crystal morphology, with and without crystalline defects, avoids the column
approximation, and provides the complex exit wave at the focal and the image planes also under weak-beam
conditions. The approach is particularly efficient for large crystals and the 3D model required for the calculations
can be measured experimentally using electron tomography. The method is applied to show that the shape of a
diffracted spot can be affected by shifts, broadening and secondary maxima of appreciable intensity, even for a
perfect crystal. The methodology is extended for the case of electron precession diffraction, and to show how can
be used to improve nanometrology from diffraction patterns. The method is used also to perform simulations of
simple models of crystalline defects. The accuracy of the method is demonstrated through examples of experimental
and simulated dark-field images of MgO and ZrO2 nanocrystals and thin layers of CeO2.
URI
ISSN
0304-3991
DOI
10.1016/j.ultramic.2018.09.004
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