Modeling of the diffraction pattern of 1D-disordered silicon carbide

Abstract

A method for calculating the diffraction pattern of a 1D-disordered crystal structure is considered by the example of silicon carbide. One-dimensional disordering is described using a cell setting the mutual position of all close-packed crystal layers. Two models of structure disordering during the polytypic transformation of the silicon carbide cubic modification into hexagonal are discussed. The results of the calculation of the diffraction spectrum in different stages of polytypic transformation are reported. It is shown that 1D disordering leads to the formation of a set of weak diffraction reflections. The experimentally observed changes in the diffraction pattern can be interpreted within the hypothesis on crystal structure disordering through displacement of adjacent close-packed layers.