Multidimensional optimization of a stochastic model for X-ray diffraction from superlattices

Abstract

We have developed a stochastic model to perform structural refinement of superlattices from X-ray diffraction. A minimal number of assumptions are made in our model and the stochasticity is introduced in the representation of the structure of the superlattices. The average and deviations from the average structural parameters of the superlattices were optimized by means of a multidimensional optimization process. The complete structural characterization of the superlattices has been therefore automated, fostering both theoretical and experimental advances in the area.