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The Domain Matrix-Method - a New Calculation Scheme for Diffraction Profiles

Acta Crystallographica Section A 48: 716-727

Autoren/Herausgeber: Pflanz S
Moritz W
Erschienen: 1992

A new calculation scheme for diffraction profiles is presented that combines the matrix method with domain approaches. Based on a generalized Markov chain, the method allows the exact solution of the diffraction problem from any one-dimensionally disordered domain structure. The main advantage of this model is that a domain statistic is used instead of a cell statistic and that the domain-length distribution can be chosen independently from the domain-type stacking. A recursive relation is derived for the correlations between the domains and a double recursive algorithm, not reducible to a simpler one, is obtained as solution. The algorithm developed here is referred to as the domain matrix method. Results and applications of the new approach are discussed.