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Phase-Field Simulation of Domain Structure Evolution in Ferroelectric Thin Films

Published online by Cambridge University Press:  21 March 2011

Y. L. Li,
S. Y. Hu,
Z. K. Liu and
L. Q. Chen
Y. L. Li
Affiliation:
Department of Materials Science and Engineering The Pennsylvania State University University Park, PA 16802, USA
S. Y. Hu
Affiliation:
Department of Materials Science and Engineering The Pennsylvania State University University Park, PA 16802, USA
Z. K. Liu
Affiliation:
Department of Materials Science and Engineering The Pennsylvania State University University Park, PA 16802, USA
L. Q. Chen
Affiliation:
Department of Materials Science and Engineering The Pennsylvania State University University Park, PA 16802, USA
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Abstract

A phase-field model for predicting the domain structure evolution in constrained ferroelectric thin films is developed. It employs an analytical elastic solution derived for a constrained film with arbitrary eigenstrain distributions. In particular, the model is applied to the domain structure evolution during a cubic→tetragonal proper ferro- electric phase transition. The effect of substrate constraint on the volume fractions of domain variants, domain-wall orientations, and domain shapes is studied. It is shown that the predicted results agree very well with existing experimental observations in ferroelectric thin films.

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