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Surface and Size Effects in TGS, NaNO2, and DKDP Nanocrystals

Published online by Cambridge University Press:  21 March 2011

Juan D. Romero ,
Luis F. Fonseca ,
Rafael Ramos ,
Manuel I. Marqués  and
Julio A. Gonzalo
Juan D. Romero
Affiliation:
Department of Physics, University of Puerto Rico, San Juan PR 00931-3343
Luis F. Fonseca
Affiliation:
Department of Physics, University of Puerto Rico, San Juan PR 00931-3343
Rafael Ramos
Affiliation:
Department of Physics, University of Puerto Rico, Mayaguez PR 00681
Manuel I. Marqués
Affiliation:
Departamento de Física de Materiales C-IV. Universidad Autónoma de Madrid, Spain
Julio A. Gonzalo
Affiliation:
Departamento de Física de Materiales C-IV. Universidad Autónoma de Madrid, Spain
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Abstract

Monte Carlo simulations of some typical order-disorder ferroelectrics such as TGS, NaNO2 and DKDP nanocrystals were studied using a Transverse Ising Model Hamiltonian with four-spins interactions. The microscopic parameters corresponding to this Hamiltonian were adjusted to fit the experimental polarization-temperature curves for each one of the materials in the bulk phase. Then the dependences of the ferroelectric-paraelectric phase transition temperatures, Tc, on the sizes of those crystals were studied with Monte Carlo simulations of the order-disorder system. We report a weak dependence of Tc on the size of the crystal (d) for these materials above d∼6nm. The addition of surface effects showed that the expected lowtemperature shift of Tc due to size effects, can be reverted.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 655 , 2000 , CC10.12.1
Copyright
Copyright © Materials Research Society 2001

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