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Surface and size effects on the Ferroelectric Phase Transition and Surface Polarization of Thin Films: Monte Carlo Simulations

Published online by Cambridge University Press:  10 February 2011

J. Romero  and
L. F. Fonseca
J. Romero
Affiliation:
Department of Physics. University of Puerto Rico, P.O. Box 23343, San Juan, PR 00931-3343
L. F. Fonseca
Affiliation:
Department of Physics. University of Puerto Rico, P.O. Box 23343, San Juan, PR 00931-3343
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Abstract

The macroscopic polarization of ferroelectric thin films was studied by Monte Carlo simulations using a Transverse Ising Model Hamiltonian with four-spins interactions. The dependence of the ferroelectric phase transition temperature, Tc, on the thickness of the film was obtained resulting in a shifting of Tc towards lower temperatures and a change from first-order to second-order phase transition as the thickness of the film is reduced. Comparison between the surface and internal order was carried out by the calculation of layer-averaged polarizations as a function of the sample temperature and the surface interaction parameters. These comparisons show that increasing disorder at the surface can be reverted by increasing the four-spins surface interactions.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 493: Symposium U – Ferroelectric Thin Film VI , 1997 , 99
Copyright
Copyright © Materials Research Society 1998

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