Misfit strain–misfit strain diagram of epitaxial BaTiO3 thin films: Thermodynamic calculations and phase-field simulations

The effect of anisotropic strains on the phase transitions and domains structures of BaTi03 thin films was studied using both thermodynamic calculations and phase-field simulations. The misfit strain -misfit strain domain stability diagrams, i.e. the graphical representations of stable ferroelectric phases and domain structures as a function of strains, were predicted. The similarity and significant differences between the diagrams from thermodynamic calculations assuming single domains and from phase-field simulations were analyzed. Typical domain structures as a result of anisotropic misfit strains are presented.