Simulation of domain patterns in BaTiO3

Computer simulations of domain structure were performed within the continuous phenomenological time-dependent Ginzburg–Landau–Devonshire model including electrostatic long-range interactions. Calculations are done on cube or rectangle area blocks with periodic boundary conditions, employing the previously proposed method consisting in eliminating the elastic field using Euler's equations and solving the kinetic equations in Fourier space. The authors demonstrate that both strong anisotropy of the Ginzburg gradient interaction and realistic estimation of elastic and electrostatic long-range interactions are crucial for correct domain wall properties of BaTiO₃-type ferroelectrics. Domain architecture obtained from simulations performed with the authors' model parameters for BaTiO₃ is found to be in reasonable agreement with experiment.