Effect of local compositional heterogeneity on the piezoelectric property at ferroelectric morphotropic phase boundary – A phase field study

Abstract

In this work, the effect of local compositional heterogeneity on the domain structure and piezoelectricity at ferroelectric morphotropic phase boundary (MPB) is studied by phase field simulations. It is found that the local compositional heterogeneity leads to a unique domain structure at MPB, i.e., a mixture of tetragonal, monoclinic and rhombohedral domains. Although polarization rotation occurs for both MPB samples with and without local compositional heterogeneity, the piezoelectric d33 coefficient becomes reduced for the sample with local compositional heterogeneity because polarization rotation becomes more difficult on average. This work unravels the effect of local compositional heterogeneity on the piezoelectric property of ferroelectric MPB.