Theoretical modeling of coexisting tetragonal and rhombohedral heterophase polydomain structures in lead zirconate titanate ferroelectric films near the morphotropic phase boundary

The coexistence of tetragonal and rhombohedral phases as elastic domains is studied in this paper for lead zirconate titanate (PZT) ferroelectric films near the morphotropic phase boundary (MPB). The volume fractions of the phases and different twin components are obtained as functions of misfit strain and film orientation. It is shown that the superior electromechanical properties of MPB-PZT films may be understood on the basis of a field-induced evolution of the heterophase polydomain structure. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.