Computer simulation of 90 ° ferroelectric domain formation in two-dimensions

The dynamics of 90 ° domain formation during a ferroelectric phase transition is studied using a computer simulation model based on time-dependent Ginzburg-Landau (TDGL) equations. This model does not make a priori assumptions on the domain morphologies and their evolution path, and takes into account simultaneously the non-local elastic and electric dipole-dipole interactions, and the local interactions resulting in the domain-wall energy. A two-dimensional system is considered. The domain structure is described by a vector polarization field whose temporal and spatial equation is obtained by numerically solving the TDGL equations in Fourier space. It is shown that both the non-local elastic and electric dipole-dipole interactions are critical in order to explain the experimental observation which demonstrated that tail-to-head or head-to-tail arrangement of dipoles at twin boundaries.