A dislocation model for the structure of [001] twist boundaries in ionic oxides

Abstract
The predicted and calculated configurations of the [001] twist boundaries in rocksalt-structured oxides have been reanalysed in terms of arrays of screw dislocations. The dislocation model is then used to predict the structure of all [001] twist boundaries in these oxides. A computer simulation confirmed the stability of the predictcd structure of the [Sgrave]29, 43·6° boundary.