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Mesoscopic Domain Average Engineering Simulations Of Ferroelectric Perovskites Compared With Multidomain Group Theoretical Predictions, Brandon J. Keith, Dorian M. Hatch

Faculty Publications

Engineered, multidomain ferroelectrics are of current interest for mechatronic and optical applications. Previously [D. M. Hatch et al., J. Appl. Phys. 94, 5220 (2003)], we presented a set of tables/symmetry rules showing all possible domain average engineered multidomain structures arising from [100]-, [110]-, and [111]-ordering ferroelectric transitions from a Pm[overline 3]m perovskite structure. In this work we test those predictions against three-dimensional mesoscopic fast quench simulations under various electric/stress field combinations and find excellent agreement with multidomain group theory. These simulations use a Langevin strain-displacement/polarization evolution strategy and are important to developing processing conditions for materials with precise domain structures.