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.