Identification of a coherent twin relationship from high-resolution reciprocal-space maps

摘要

The theory and algorithm are presented for the assignment of ferroelastic domains to the individual components of split Bragg peaks in high-resolution reciprocal-space maps. The formalism of mechanical compatibility of ferroelastic domains is further developed for the analysis of the geometry of the reciprocal space. The application of the algorithm to the reciprocal-space maps of tetragonal BaTiO3 and rhombohedral PbZr1−x Ti x O3 crystals is demonstrated.