Mechanical coupling of polar topologies and oxygen octahedra rotations in superlattices
Phys. Rev. B 113, 184107 – Published 6 May, 2026
DOI: https://doi.org/10.1103/rkkn-flsg
Abstract
artificial superlattices recently emerged as a prototypical platform for the emergence and study of polar topologies. While previous studies mainly focused on the polar textures inherent to the ferroelectric layers, the oxygen octahedra rotations inherent to the paraelectric layers have attracted little attention. Here, we highlight a biunivocal relationship between distinct polar topologies—including domains, polar vortices, and skyrmions—within the layers and specific patterns of oxygen octahedra rotations in the layers. This relationship arises from a coupling mediated by inhomogeneous strains between the two materials and is shown to be reciprocal. Through second-principles atomistic simulations, we demonstrate that each polar texture imposes a corresponding rotation pattern, while conversely, a frozen oxygen octahedra rotation dictates the emergence of the associated polar state. This confirms the strong coupling between oxygen octahedra rotations in and polarization in , highlighting their cooperative role in stabilizing complex polar textures in related superlattices.