Uncovering ferroelectric polarization in tetragonal (Bi1/2K1/2)TiO3–(Bi1/2Na1/2)TiO3 single crystals

Abstract

AbstractWe report the robust ferroelectric properties of (1 − x)(Bi1/2Na1/2)TiO3–x(Bi1/2K1/2)TiO3 (x = 33%) single crystals grown by a top-seeded solution growth process under a high oxygen-pressure (0.9 MPa) atmosphere. The sample exhibit a large remanent polarization of 48 μC/cm2 and a sizeable piezoelectric strain constant of 460 pm/V. Neutron powder diffraction structural analysis combined with first-principles calculations reveals that the large ferroelectric polarization comparable to PbTiO3 stems from the hybridization between Bi-6p and O-2p orbitals at a moderately negative chemical pressure.