Find in Library

Using first-principles methods, we investigate the joint effects of epitaxial strain and electrostatic coupling on the appearance of oxygen octahedral rotations, O6, in ferroelectric perovskites. We find that by varying the relative content of ferroelectric and paraelectric layers in epitaxially strained superlattices the size of O6 can be efficiently tuned. Keywords: Oxide perovskites, Superlattices, Density functional theory