Order-Disorder Behavior in KNbO_3 and KNbO_3/KTaO_3 Solid Solutions and Superlattices by Molecular-Dynamics Simulation

摘要

We use molecular-dynamics simulation to examine the order-disorder behavior in pure ferroelectric KNbO_3 and in KNbO_3-KTaO_3 ferroelectric-paraelectric solid solutions and superlattices. We find that the order-disorder behavior is remarkably robust and plays an important role in both the polarization rotation associated with switching of the perfect crystal and in the dynamical behavior of the solid solutions and superlattices.