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Domain Structures and Phase Diagram in 2D Ferroelectrics Under Applied Biaxial Strains - Phase Field Simulations and Thermodynamic Calculations

Published online by Cambridge University Press:  01 February 2011

Jie Wang ,
Yulan Li ,
Long-Qing Chen  and
Tong-Yi Zhang
Jie Wang
Affiliation:
Department of Mechanical Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, China
Yulan Li
Affiliation:
Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA
Long-Qing Chen
Affiliation:
Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA
Tong-Yi Zhang*
Affiliation:
Department of Mechanical Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, China
*
*Corresponding author, Tel: (852) 2358-7192, Fax: (852) 2358-1543, E-mail: mezhangt@ust.hk
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Abstract

Absract:The microscopic domain structures in 2D ferroelectrics under applied biaxial strains are investigated using a phase field model based on the time-dependent Ginzburg-Landau equation that takes both long-range electric and -elastic interactions into account. The stable polarization patterns are simulated at different temperatures and applied inequiaxial strains. The results show that the ferroelectrics transfer from multi-domain state to single-domain state when temperature surpasses a critical value. On the other hand, the macroscopic equilibrium polarization states are also studied through a nonlinear thermodynamic theory. The corresponding transition from a 1, a 2 state (p 1 ≠ 0, P 2 ≠ 0) to a 1 state (p 1 ≠0, P 2 = 0) or a 2 state (p 2 ≠ 0, P 2 = 0) is also found from the “strain-straintemperature” phase diagram, which is constructed by minimizing Helmholtz free energy.

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