Can we trust the temperature - misfit strain thin film phase diagrams?

Details Can we trust the temperature - misfit strain thin film phase diagrams? Can we trust the temperature - misfit strain thin film phase diagrams?

2012-04-13

arxiv.org/abs/1204.2958v3

Physics

Condensed Matter

Materials Science

Scientific paper

It was demonstrated that phenomenological approach based on Landau thermodynamic theory widely used for modeling of ferroelectrics can lead to a substantial inaccuracy of description of thermodynamics of ferroelectric thin films if non-linear electrostriction and non-linear elastic compliance are not taken into account. In this paper we demonstrate this with an example of the temperature - misfit strain phase diagrams of a single-domain (001)-oriented BaTiO3 thin film. Non-linear electrostriction and non-linear compliance tensors were calculated using first principles methods.

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