Title :
Modeling ferroelectric properties in systems of induced and permanent dipoles
Author :
Kliem, H. ; Farag, N.
Author_Institution :
Saarlandes Univ., Saarbrucken, Germany
Abstract :
In earlier studies we reported on Monte Carlo simulations of dielectric properties in systems of permanent or induced dipoles considering electrostatic interactions. The calculations are expanded now to systems composed of induced and permanent dipoles with the final purpose to model ferroelectric properties in structures like BaTiO3 . In a first step a dipole chain with permanent dipoles (Ti-ions moving in double well potentials) and induced dipoles (O-ions) in alternating order is considered referring to the [001] crystal direction in BaTiO3. The calculation yields a hysteresis loop of the polarization, a Curie-Weiss law, a temperature dependent remanent polarization, and a spontaneous polarization. A second system refers to the (200) plane of BaTiO3. Besides a hysteresis of the polarization with a temperature dependent remanent polarization, we find spontaneous ferroelectric domains with an uniform polarization. Typical ferroelectric properties arise if permanent and induced dipoles are involved in the interaction process
Keywords :
Monte Carlo methods; barium compounds; dielectric hysteresis; dielectric polarisation; electric domains; electric moments; ferroelectric materials; BaTiO/sub 3/; Curie-Weiss law; Monte Carlo simulation; dielectric properties; electrostatic interactions; ferroelectric domains; ferroelectric properties; hysteresis loop; induced dipoles; permanent dipoles; polarization; spontaneous polarization; temperature dependent remanent polarization; Barium; Dielectrics; Electrostatics; Ferroelectric materials; Hysteresis; Monte Carlo methods; Polarization; Potential well; Temperature dependence; Titanium;
Conference_Titel :
Electrical Insulation and Dielectric Phenomena, 2000 Annual Report Conference on
Conference_Location :
Victoria, BC, Canada
Print_ISBN :
0-7803-6413-9
DOI :
10.1109/CEIDP.2000.884011