Profile analysis application in the modelling of multiwave diffraction

The results of intensity profile analysis of Bragg reflections are used for the calculation of the reflectivity Q(Δθ_ij, σ_ij) = W(Δθ_ij, σ_ij)(|F|²Lp)_ij in the energy transfer equation for multiwave X-ray diffraction in crystals. The diffraction profiles in the profile analysis are fitted by different analytical functions and the fitting results are used for modelling the multiwave diffraction. The results of modelling multiwave diffraction in Si and V₃Si crystals with different grades of perfection demonstrate that the method suggested here is sensitive to the content of defects in crystals and can be used not only for simultaneous reflection correction in X-ray structure analysis but also for estimation of single-crystal perfection.