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Models for termination of crystal boundaries in the theory of transmission electron-diffraction and comparison with experimental data

TitleModels for termination of crystal boundaries in the theory of transmission electron-diffraction and comparison with experimental data
Publication TypeJournal Article
Year of Publication1995
AuthorsGrigorieff, N, Cherns D, Preston AR, Yates MJ
Refereed DesignationRefereed
JournalActa Crystallographica Section A
Volume51
Pagination343-350
Date PublishedMay
ISBN Number0108-7673
Accession NumberISI:A1995RB59400014
KeywordsDYNAMIC THEORY, ENERGY, GENERAL MATRIX REPRESENTATION
Abstract

Calculations of electron diffraction intensities in transmission electron microscopy commonly assume a model representing surfaces and interfaces in crystals as flat boundaries (flat-boundary model, FBM). It is shown that the independent-atom model (IAM) representing the crystal potential as a superposition of spherical atomic potentials leads to improved boundary conditions. Intensities calculated from the two models at large deviation from the Bragg peak in weak reflections (e.g. 200 in InGaAs) differ significantly. Results from both types of calculation are compared with an experimental diffraction pattern recorded using energy-filtered large-angle convergent-beam electron diffraction from an In0.53Ga0.47/InP bicrystal. It is shown that calculations using the IAM give a better agreement with experiment.

URLhttp://journals.iucr.org/a/issues/1995/03/00/issconts.html
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