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Title: Monte Carlo simulation on dielectric and ferroelectric behaviors of relaxor ferroelectrics
Authors: Wang, X
Liu, J
Chan, HLW 
Choy, CL 
Issue Date: 15-Apr-2004
Source: Journal of applied physics, 15 Apr. 2004, v. 95, no. 8, p.4282-4290
Abstract: The dielectric and ferroelectric behaviors of relaxor ferroelectrics over the ferroelectric transition range are simulated using Monte Carlo simulation. The simulation is based on the Ginzburg-Landau ferroelectric model lattice in which a random distribution of two types of defects (dopants) which will suppress and enhance the local polarization, respectively, is assumed. The simulation reveals an evolution of the ferroelectric transitions from a normal first-order mode toward a diffusive mode, with increasing defect concentration. The simulated lattice configuration shows the microdipole ordered clusters embedded in the matrix of paraelectric phase over a wide range of temperature, a characteristic of relaxor ferroelectrics. The relaxor-like behaviors are confirmed by the lattice free energy, dielectric susceptibility, and ferroelectric relaxation evaluated as a function of the defect concentration. Finally, we present a qualitative comparison of our simulated results with the simulation based on the coarse-grain model [C. C. Su, B. Vugmeister, and A. G. Khachaturyan, J. Appl. Phys. 90, 6345 (2001)].
Keywords: Relaxor ferroelectrics
Ferroelectric transitions
Monte Carlo methods
Dielectric polarisation
Free energy
Optical susceptibility
Publisher: American Institute of Physics
Journal: Journal of applied physics 
ISSN: 0021-8979
EISSN: 1089-7550
Rights: © 2004 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in X. Wang et al., J. Appl. Phys. 95, 4282 (2004) and may be found at
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