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Using density-functional calculations we study the structure and polarization response of tetragonal PbTiO3, BaTiO3 and SrTiO3 in a strain regime that is previously overlooked. Different from common expectations, we find that the polarizations in all three substances saturate at large strains, demonstrating a universal phenomenon. The saturation is shown to originate from an unusual and strong electron-ion correlation that leads to cancellation between electronic and ionic polarizations. Our results shed new insight on the polarization properties, and reveal the existence of a fundamental limit to the strain-induced polarization enhancement.
Strain engineering of perovskite oxide thin films has proven to be an extremely powerful method for enhancing and inducing ferroelectric behavior. In ferroelectric thin films and superlattices, the polarization is intricately linked to crystal struct
Consecutive stochastic 90{deg} polarization switching events, clearly resolved in recent experiments, are described by a new nucleation and growth multi-step model. It extends the classical Kolmogorov-Avrami-Ishibashi approach and includes possible c
A stochastic model for the field-driven polarization reversal in rhombohedral ferroelectrics is developed, providing a description of their temporal electromechanical response. Application of the model to simultaneous measurements of polarization and
Statistical distribution of switching times is a key information necessary to describe the dynamic response of a polycrystalline bulk ferroelectric to an applied electric field. The Inhomogeneous Field Mechanism (IFM) model offers a useful tool which
A stochastic model of electric field-driven polarization reversal in orthorhombic ferroelectrics is advanced, providing a description of their temporal electromechanical response. The theory accounts for all possible parallel and sequential switching