Abstract
The motionally averaged electric field gradient tensors at the Ti-sites have been evaluated within the 8-site Ti disorder model for the various phases of BaTiO3. The results have been compared with the experimental data and with the observation of a non-zero Ti quadrupole coupling in the cubic phase. The pure 8-site “order-disorder” model does not agree with the experiment. A good agreement is however obtained if in addition to the dynamic Ti disorder the “displacive” soft mode induced deformation of the unit cell shape is taken into account. The presence of the soft mode and the Ti disorder leads to a special type of phase transition with combined “displacive” and “order-disorder” character.
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