Abstract
Rhombohedral BaTiO3 under hydrostatic pressure is investigated by first principles calculations. Our results show that just like tetragonal perovskites, as pressure increases, this material first becomes para-electric at low pressures, then transfers to another ferroelectric phase at much higher pressures. We also find a giant enhancement of piezoelectricity near the phase-transition regions, due to large atomic displacements along different directions in response to the applied pressures.
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