Local displacive correlation in the tetragonal relaxor ferroelectric Pb(Zn1/3Nb2/3)O3-0.15PbTiO3

Abstract

Over the past decades, lead-based relaxor ferroelectrics have served as the model systems to unravel the relationship between electromechanical properties and local structure. Here, by employing pair distribution function analysis and the reverse Monte Carlo method, we investigate the local structural features and their temperature dependence in relaxor ferroelectric Pb(Zn1/3Nb2/3)O3-xPbTiO3 with x = 0.15 (PZN-15PT), which has a tetragonal average structure, but displays frequency dependence at low temperatures. The refined atomic model suggests that ordered polar nanoregions (PNRs) originate from the strong atomic displacive correlation, and their polar directions are the same as the crystallographic symmetry axis. The dipoles in the disordered matrix have weak correlations and can be averaged into a global tetragonal symmetry. These findings establish a detailed picture of the local structure of lead-based relaxor ferroelectrics and provide a deeper insight into the nature of PNRs.