Intrinsic shape analysis of X-ray diffraction using Stokes deconvolution

Abstract

A deconvolution algorithm is proposed for X-ray diffraction profile analysis. The stability of the algorithm and the influence of the regularization parameter in the deconvoluted results were investigated with respect to the full width at half maximum (FWHM) and the signal to noise ratio. Reliability of the deconvolution profile was estimated. A simple algorithm is proposed that allows obtaining knowledge of the behaviors of the intrinsic physical profile with different instrumental and measured ones. The experimental powder diffraction of prepared NiO nanoparticles has been analyzed by the proposed technique. The algorithm applied to determine the microstructure characteristics compared to those of Sherrer and Stoke’s methods. The method has the advantage that the grain-size or microstrain can be calculated directly without using normal approximation correction and the success of this technique is dependent on the value of the regularization parameter.