Premium
Modeling ferroelectric properties of dipole planes
Author(s) -
Farag Nayel,
Kliem Herbert
Publication year - 2003
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200301806
Subject(s) - dipole , ferroelectricity , condensed matter physics , polarization (electrochemistry) , monte carlo method , electric field , polarization density , materials science , physics , dielectric , chemistry , magnetization , magnetic field , optoelectronics , quantum mechanics , statistics , mathematics
Ferroelectric properties of a system of electric dipoles arranged in a plane are calculated with a Monte Carlo simulation, the importance‐sampling method. The plane is a substructure of the perovskite structure found in barium titanate. Two sorts of dipoles are simulated: 1) permanent dipoles with two possible antiparallel orientations, 2) induced point dipoles. The permanent dipoles represent the titanium ions, and the induced point dipoles represent the oxygen atoms of the dipole plane. The dipoles are located between two plane‐parallel electrodes of a capacitor. The effect of the electrodes to the local electric field is taken into account with the method of images. With the Monte Carlo simulation the polarization of the dipole plane in dependence on the applied field is calculated. For the case without applied field we find a spontaneous polarization if the values for the polarizabilities of the induced dipoles are chosen appropriate. The temperature dependence of the spontaneous polarization is computed. From the simulations with applied field we get hysteresis loops of the polarization. We calculate the temperature dependence of the coercive field and the remanent polarization. For the susceptibility a Curie–Weiss law is found.