Electrostatic tuning of oxygen octahedral rotations in ferroelectric perovskites

摘要

Using first-principles methods, we investigate the joint effects of epitaxial strain and electrostatic coupling on the appearance of oxygen octahedral rotations, O 6 , in ferroelectric perovskites. We find that by varying the relative content of ferroelectric and paraelectric layers in epitaxially strained superlattices the size of O 6 can be efficiently tuned.