Exploring the link between flexoelectricity and structural distortions in perovskite oxides

Flexoelectric materials, which couple strain gradients to electric fields, are a promising class of materials receiving renewed interest as possible replacements for piezoelectrics in many applications. While much work has been done to elucidate the relationship between zone-boundary structural distortions and ferroelectricity, the link between similar distortions and flexoelectric coefficients is still an area of active research. Through a combination of group theory and density functional theory, we explore the relationship between structural distortions in ABO3 perovskites and their predicted flexoelectric coefficients. In addition to a deeper understanding of flexoelectricity in these systems, this work provides insight into how flexoelectricity could be enhanced or suppressed in other systems which exhibit similar structural instabilities, as well as to how these trends compare with the effect of the same types of distortions on ferroelectricity.