A neutron diffraction investigation into the rhombohedral phases of the perovskite series

Abstract

Rietveld refinements using neutron powder profiles are reported for a series of samples (commonly known as PZT), with x ranging from to . Cation shifts, octahedral distortion and tilts are determined with varying composition across the ferroelectric rhombohedral regions, and , of the PZT phase diagram. These parameters are then used in conjunction with a simple Landau-Devonshire model to investigate the nature of the phase transition.