Piezoelectric Response and Free Energy Instability in the Perovskite Crystals BaTiO3, PbTiO3 and Pb(Zr,Ti)O3

Abstract

The question of the origin of the piezoelectric properties enhancement in perovskite ferroelectrics is approached by analyzing the Gibbs free energy of tetragonal BaTiO3, PbTiO3 and Pb(Zr,Ti)O3 in the framework of the Landau-Ginzburg-Devonshire theory. The flattening of the Gibbs free energy profile appears as a fundamental thermodynamic process behind the piezoelectric enhancement. The generality of the approach is demonstrated by examining the free energy flattening and piezoelectric enhancement as a function of composition, temperature, electric field and mechanical stress. It is shown that the anisotropy of the free energy flattening is the origin of the anisotropic enhancement of the piezoelectric response, which can occur either by polarization rotation or by polarization contraction. Giant enhancement of the longitudinal piezoelectric response (on the order of 1000 pC/N) is predicted in PbTiO3 under uniaxial compression.

arXiv comment19 pages, 4 Figures, accepted in Phys. Rev. B

References in corpus (9)

• Origin of the high piezoelectric response in PbZr(1-x)TixO3
• A monoclinic ferroelectric phase in the Pb(Zr1-xTix)O3 solid solution
• Monoclinic and triclinic phases in higher-order Devonshire theory
• Finite-temperature properties of PZT alloys from first principles
• Pressure-Induced Anomalous Phase Transitions and Colossal Enhancement of Piezoelectricity in PbTiO${}_3$
• Electric-field induced polarization paths in PZT alloys
• Domain Size Dependence of Piezoelectric Properties of Ferroelectrics
• Polar domains in lead titanate films under tensile strain
• Devonshire-Landau free energy of BaTiO3 from first principles

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