Analysis X-ray diffractograms from near-surface layers of monocrystals: development of models, algorithms and software

Abstract

An algorithm for analyzing double-crystal rocking curves from the near-surface layers of monocrystals has been proposed, and corresponding software has been developed. It is taken into account that to obtain correct results, both coherent and diffuse components of X-ray scattering need to be considered. The possibility of simultaneous analysis of rocking curves from several reflections is provided. To approximate experimental rocking curves with theoretical ones, an approach that simultaneously uses three different approximation methods has been utilized. The effectiveness of the proposed approach is confirmed by verifying the uniqueness of the obtained results.

Keywords

• computer simulation
• algorithm
• x-ray diffraction
• crystal structure
• surface layer
• strain profiles
• rocking curve
• defects