Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices

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.

References in corpus (8)

• Physics of thin-film ferroelectric oxides
• First-principles study of epitaxial strain in perovskites
• Unusual behaviour of the ferroelectric polarization in PbTiO${}_3$/SrTiO${}_3$ superlattices
• Suppressed dependence of polarization on epitaxial strain in highly polar ferroelectrics
• First-principles study of symmetry lowering in relaxed BaTiO3/SrTiO3 superlattices
• Polarization enhancement in two- and three-component ferroelectric superlattices
• Wannier-based definition of layer polarizations in perovskite superlattices
• Polarization Enhancement in Short Period Superlattices via Interfacial Intermixing

Cited by in corpus (6)

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• Modeling functional piezoelectricity in perovskite superlattices with competing instabilities
• Influence of uniaxial tensile stress on the mechanical and piezoelectric properties of short-period ferroelectric superlattice
• First-Principles Bulk-Layer Model for Dielectric and Piezoelectric Responses in Superlattices
• Piezoelectrics by Design: A Route through Short-period Perovskite Superlattices
• Chemical control of polymorphism and ferroelectricity in PbTiO3 and SrTiO3 monolayers and bilayers