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Thermodynamic and electrostatic analysis of threading dislocations in epitaxial ferroelectric films

The role of threading dislocations on the electrical properties of epitaxial ferroelectric films is analyzed using a thermodynamic formalism and basic electrostatics. The modeling is carried out for a 300nm thick (001) PbZr0.2Ti0.8O3 on (001) SrTiO3 which displays a large population of threading dislocations as determined by transmission electron microscopy. Results show that although the phase transformation characteristics of ferroelectric films containing threading dislocations are altered such that the transformation is “smeared” over a temperature interval due to local strain variations, these defects do not have as profound an effect on the electrical properties as the misfit dislocations.