3-DIMENSIONAL MONTE-CARLO SIMULATION OF HYSTERESIS LOOPS BY A STRUCTURALLY BASED FERROELECTRIC MODEL

Three-dimensional Monte Carlo simulation of dielectric hysteresis loop s has been carried out by utilizing a structurally based ferroelectric model for the case of tetragonal perovskites. Simulation results on t etragonal BaTiO3 without surface effects have revealed that the dielec tric anisotropic factor R-epsilon defined as epsilon(a)/epsilon(c) has a strong influence on the hysteresis loops and the static domain stru ctures. For the experimental value R-epsilon = 35, the simulation resu lt of E-c is 2.076 x 10(3) kV/cm, which is three orders of magnitude l arger than the experimental value by Wieder. This could be partially e xplained by the surface effect on the antiparallel domain nucleation.