Strain enhancement due to oxygen vacancies in perovskite oxide films

Abstract

Control of lattice strain in epitaxial films of ABO₃ perovskite oxides is crucial for modern understanding and applications of these scientifically and technologically important materials. Here, we show that oxygen vacancies have unique impacts on lattice strain in such films. We suggest that in the presence of substrate-imposed misfit in epitaxial or highly oriented films, the crystallographic alignment of anisotropic elastic dipole tensors of oxygen vacancies is energetically favorable. The dipolar alignment leads to an enhanced above-misfit magnitude of maximal lattice strain and to increased inhomogeneous strain or strain gradients. The vacancy-induced remarkably strong elastic effects are experimentally validated by varying the misfit strain and oxygen content in thin films of perovskite niobate (ANbO₃) and titanate (ATiO₃) ferroelectrics. It is anticipated that elastic effects of oxygen vacancies are relevant for controlling strain in epitaxial films of a broad range of functional oxides.