Order-disorder behavior in KNbO3 and KNbO3/ KTaO3 solid solution and superlattice by molecular dynamics simulation.

S. PHILLPOT; M. SEPLIARSKY; S. STREIFFER; M. G. STACHIOTTI; R. L. MIGONI

JOURNAL OF MATERIALS SCIENCE

Año: 2005 vol. 40 p. 3213 - 3217

0022-2461

We use molecular-dynamics simulation to examine the order-disorder behavior in pure ferroelectric KNbO3 and in KNbO3 -KTaO3 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.