Phase field simulations of ferroelectrics domain structures in PbZrₓTi₁₋ₓO₃ bilayers

Date

2013

Authors

Xue, F.
Wang, J.J.
Sheng, G.
Huang, E.
Cao, Y.
Huang, H.H.
Munroe, P.
Mahjoub, R.
Li, Y.L.
Nagarajan, V.

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Journal article

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Acta Materialia, 2013; 61(8):2909-2918

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Abstract

Domain stability and structures in Pb(Zr0.3Ti0.7)O3/Pb(Zr0.7Ti0.3)O3bilayer films under different substrate strains are studied using the phase field method. It is demonstrated that the domain structure of the bilayer film is very different from those of the corresponding single layer films grown on the same silicon substrate with an incoherent interface. Moreover, the predicted rhombohedral domains in the Pb(Zr0.7Ti0.3)O3layer of the bilayer film have smaller sizes than those in the single layer case. These results are compared with experimental observations and previous thermodynamic analyses. The polarization distributions of the ferroelectric-paraelectric bilayer are analyzed as a function of the thickness of the bilayer film, where there is a "ferroelectric proximity effect" due to dipole-dipole interactions. The phase diagrams for both the bilayer and single layer films as a function of temperature and effective in-plane substrate strain are constructed.

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Copyright 2013 Acta Materialia Inc. Published by Elsevier Ltd

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