Modeling dielectrics and ferroelectrics combining local field calculations and Monte-Carlo steps

It is investigated which dielectric and ferroelectric properties can be understood if the dipole-dipole interactions in solids are considered. To this aim a combination of local field calculations and Monte-Carlo (MC) steps is employed taking into account a deterministic and a stochastic contribution. The dipole systems under consideration with up to 2000 dipoles are embedded between electrodes. The ensembles consist of permanent dipoles fluctuating thermally activated in double well potentials and/or induced dipoles. At each dipole the local field is calculated. The moment of an induced dipole is proportional to the field, and the direction of a permanent dipole is determined by a field weighted random MC step (importance sampling).