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arXiv · 0901.0896

Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices

Valentino R. Cooper·Karin M. Rabe
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Abstract

Short period ferroelectric/ferroelectric BaTiO3 (BTO)/PbTiO3 (PTO) superlattices are studied using density functional theory. Contrary to the trends in paraelectric/ferroelectric superlattices the polarization remains nearly constant for PTO concentrations below 50%. In addition, a significant decrease in the c/a ratio below the PTO values were observed. Using a superlattice effective Hamiltonian we predict an enhancement in the d33 piezoelectric coefficient peaking at ~75% PTO concentration due to the different polarization-strain coupling in PTO and BTO layers. Further analysis reveals that these trends are bulk properties which are a consequence of the reduced $P$ brought about by the polarization saturation in the BTO layers.

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Valentino R. Cooper, Karin M. Rabe. 2009-01-09. Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices. https://doi.org/10.1103/physrevb.79.180101

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