Ferroelectricity in systems of induced and permanent dipoles: A Monte Carlo study

Abstract

Dielectric and ferroelectric properties in systems of permanent and induced dipoles are calculated with a Monte Carlo method, the importance-sampling method. The systems are dipole chains and dipole planes, which can be looked at as subsystems of a perovskite structure. Depending on the system and the parameters we find spontaneous polarizations, ferroelectric domains, temperature-dependent hysteresis loops of the polarization, and a Curie–Weiss law for the susceptibility. These properties are mainly due to the cooperation of induced and permanent dipoles. The most difficult problem is the calculation of the spontaneous polarization, i.e., the calculation of the polarization without an applied field. In this case, a high iteration number is required.