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Tetragonal ferroelectric/ferroelectric BaTiO3/PbTiO3 superlattice underuniaxial tensile stress along the c axis is investigated from first principles.We show that the calculated ideal tensile strength is 6.85 GPa and that thesuperlattice under the loading of uniaxial tensile stress becomes soft alongthe nonpolar axes. We also find that the appropriately applied uniaxial tensilestress can significantly enhance the piezoelectricity for the superlattice,with piezoelectric coefficient d33 increasing from the ground state value by afactor of about 8, reaching 678.42 pC/N. The underlying mechanism for theenhancement of piezoelectricity is discussed.

Influence of uniaxial tensile stress on the mechanical and piezoelectric properties of short-period ferroelectric superlattice