Monte Carlo simulation of ferroelectric domain structure: Electrostatic and elastic strain energy contributions | Zendy

B. G. Potter | Zendy

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Monte Carlo simulation of ferroelectric domain structure: Electrostatic and elastic strain energy contributions

Author(s) -

B. G. Potter

Publication year - 2000

Publication title -

aip conference proceedings

Language(s) - English

Resource type - Conference proceedings

SCImago Journal Rank - 0.177

H-Index - 75

eISSN - 1551-7616

pISSN - 0094-243X

DOI - 10.1063/1.1324454

Subject(s) - ferroelectricity , monte carlo method , dipole , condensed matter physics , electric field , polarization (electrochemistry) , elastic energy , electrostatics , materials science , hysteresis , electric potential energy , statistical physics , physics , energy (signal processing) , chemistry , optoelectronics , thermodynamics , mathematics , dielectric , quantum mechanics , statistics

A lattice-Monte Carlo approach was developed to simulate ferroelectric domain behavior. The model utilizes a Hamiltonian for the total energy that includes electrostatic terms (involving dipole-dipole interactions, local polarization gradients, and applied electric field), and elastic strain energy. The contributions of these energy components to the domain structure and to the overall applied field response of the system were examined. In general, the model exhibited domain structure characteristics consistent with those observed in a tetragonally distorted ferroelectric. Good qualitative agreement between the appearance of simulated electrical hysteresis loops and those characteristic of real ferroelectric materials was found.

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