Abstract
NMR has been used to investigate the local structure and cation order/disorder in solid solutions of as a function of concentration x. These relaxor ferroelectric solid solutions have been well characterized by x-ray diffraction, transmission electron microscopy, and dielectric response measurements. NMR magic angle spinning (MAS) spectra are presented for at 14.0 and 19.6 T. Seven narrow peaks and two broad components are observed. Narrow peaks are assigned to configurations of nuclei with only and/or (no cations occupying the six nearest B neighbor sites and are designated 0–6 according to the number of cations in the configuration. The two broad components are assigned to configurations with more than one cation in the nearest B sites. In order to fit the MAS line shapes it is necessary to include distributions of the electric-field gradient parameters and dispersions in isotropic chemical shifts; these have been obtained from the data. The relative intensities of each spectral component are analyzed and the data strongly support a modified random site model of B-site order. Monte Carlo simulations of B cation ordering are presented to explain the observed NMR intensities and to validate the model.
- Received 9 August 2002
DOI:https://doi.org/10.1103/PhysRevB.66.224103
©2002 American Physical Society