Polar nanoregions and diffuse scattering in relaxor ferroelectrics

  title={Polar nanoregions and diffuse scattering in relaxor ferroelectrics},
  author={T. Richard Welberry and Marek Paściak},
We present a fully atomistic model of polar nanoregions (PNRs) in the relaxor ferroelectric PbMg1/3Nb2/3O3. Our molecular dynamics calculations [1] reproduce both the characteristic form of the neutron diffuse scattering distribution and its temperature dependence. A shell model was used with a modified version of a published interatomic potential that was based on ab initio calculations. The parameters of this potential were optimized for the present work to provide a better description of the… CONTINUE READING


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