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Diffuse scattering in electron diffraction patterns. I. General theory and computational methods

Diffuse scattering in electron diffraction patterns. I. General theory and computational methods The solution of the n-beam dynamical theory of the diffraction of electrons by crystals is generalized to cover the case of diffraction by crystals containing defects and disorders, including thermal motion. The conditions and assumptions under which practical computer calculations of diffuse intensities can be made are explored on the basis of the slice approach of Goodman and Moodie, although matrix methods are equally applicable. It is shown that, if the range of correlation of the deviations from the perfect crystal lattice is small, the total diffuse scattering can be expressed in terms of dynamical factors which multiply the intensities calculated using the kinematical approximation. Simple expressions are derived for the absorption coefficients which must be applied to the sharp Bragg reflexions to take account of the energy lost from them into the diffuse scattering. The possibility that the intensity of diffuse scattering may show dependence on the range of correlation of the defects is discussed. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography International Union of Crystallography

Diffuse scattering in electron diffraction patterns. I. General theory and computational methods

Diffuse scattering in electron diffraction patterns. I. General theory and computational methods


Abstract

The solution of the n-beam dynamical theory of the diffraction of electrons by crystals is generalized to cover the case of diffraction by crystals containing defects and disorders, including thermal motion. The conditions and assumptions under which practical computer calculations of diffuse intensities can be made are explored on the basis of the slice approach of Goodman and Moodie, although matrix methods are equally applicable. It is shown that, if the range of correlation of the deviations from the perfect crystal lattice is small, the total diffuse scattering can be expressed in terms of dynamical factors which multiply the intensities calculated using the kinematical approximation. Simple expressions are derived for the absorption coefficients which must be applied to the sharp Bragg reflexions to take account of the energy lost from them into the diffuse scattering. The possibility that the intensity of diffuse scattering may show dependence on the range of correlation of the defects is discussed.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1968 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S0567739468000148
Publisher site
See Article on Publisher Site

Abstract

The solution of the n-beam dynamical theory of the diffraction of electrons by crystals is generalized to cover the case of diffraction by crystals containing defects and disorders, including thermal motion. The conditions and assumptions under which practical computer calculations of diffuse intensities can be made are explored on the basis of the slice approach of Goodman and Moodie, although matrix methods are equally applicable. It is shown that, if the range of correlation of the deviations from the perfect crystal lattice is small, the total diffuse scattering can be expressed in terms of dynamical factors which multiply the intensities calculated using the kinematical approximation. Simple expressions are derived for the absorption coefficients which must be applied to the sharp Bragg reflexions to take account of the energy lost from them into the diffuse scattering. The possibility that the intensity of diffuse scattering may show dependence on the range of correlation of the defects is discussed.

Journal

Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General CrystallographyInternational Union of Crystallography

Published: Jan 23, 1968

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