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Crystal truncation rod X‐ray scattering: exact dynamical calculation
Author(s) -
Holý Václav,
Fewster Paul F.
Publication year - 2008
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889807049886
Subject(s) - reciprocal lattice , scattering , diffraction , physics , diffraction topography , optics , crystal (programming language) , dynamical theory of diffraction , polarization (electrochemistry) , x ray crystallography , computational physics , chemistry , computer science , acousto optics , programming language , diffraction grating
A new method is presented for a calculation of the reciprocal‐space distribution of X‐ray diffracted intensity along a crystal truncation rod. In contrast to usual kinematical or dynamical approaches, the method is correct both in the reciprocal‐lattice points and between them. In the method, the crystal is divided into a sequence of very thin slabs parallel to the surface; in contrast to the well known Darwin dynamical theory, the electron density in the slabs is constant along the surface normal. The diffracted intensity is calculated by a matrix formalism based on the Fresnel reflection and transmission coefficients. The method is applicable for any polarization of the primary beam and also in a non‐coplanar scattering geometry.