Effect of a single dislocation in a heterostructure layer on the local polarization of a ferroelectric layer

We study, on an atomic scale, the influence of a single dislocation in a SrTiO3 sublayer on the local ferroelectric polarization of the neighboring ferroelectric PbZr0.2Ti0.8O3 (PZT) sublayer in an epitaxial SrTiO3/PbZr0.2Ti0.8O3/SrTiO3 three-layer heterostructure. The strain field of the dislocation in the SrTiO3 layer propagates across the interface into the PZT layer and leads to a strong variation of the c-lattice parameter of the PZT layer. Accompanying a strong reduction of the c-lattice parameter, the off-center displacements of the Zr/Ti atoms away from the center of the oxygen octahedra are also strongly decreased, resulting in a decrease of the local spontaneous polarization by up to 48%