Computer simulation of ferroelectric domain structures in epitaxial BiFeO3 thin films

Ferroelectric domain structures of (001)c, (101)c, and (111)c oriented epitaxial BiFeO3 thin films were studied by using the phase-field approach. Long-range elastic and electrostatic interactions were taken into account. The effects of various types of substrate constraint on the domain morphologies were systematically analyzed. It is demonstrated that domain structures of BiFeO3 thin films could be controlled by selecting proper film orientations and substrate constraint. The dependence of the {110}c-type domain wall orientation on substrate constraint for the (001)c oriented BiFeO3 thin film was also discussed.