Diffuse scattering from the lead-based relaxor ferroelectric PbMg1/3Ta2/3O3

Abstract

The relaxor ferroelectric PbMg1/3Ta2/3O3was studied by single-crystal neutron and synchrotron X-ray diffraction, and its detailed atomic structure modelled in terms of static Pb displacements that lead to the formation of polar nanoregions. Similar to the other members of the Pb-based relaxor family like PbMg1/3Nb2/3O3or PbZn1/3Nb2/3O3the diffuse scattering in the [H00]/[0K0] scattering plane has a butterfly shape around theh00 Bragg reflections and is orthogonal to the scattering vector forhh0 peaks. In the [HH0]/[00L] plane the diffuse scattering is elongated along the 〈112〉 directions and is orthogonal to the scattering vector forhhhreflections. It is found that a model consisting of correlated Pb displacements along the 〈111〉 directions reproduces adequately the main features of the diffuse scattering in PbMg1/3Ta2/3O3when the correlation lengths between the Pb-ion displacement vectors are longest along the 〈111〉 and shortest along the 〈11{\overline 2}〉 and 〈1{\overline 1}0〉 directions.