Coupling between octahedral rotations and local polar displacements in WO3/ReO3 superlattices

Joseph T. Schick, Lai Jiang, Diomedes Saldana-Greco +1

We model short-period superlattices of WO${}_3$ and ReO${}_3$ with first-principles calculations. In fully-relaxed superlattices, we observe that octahedral tilts about an axis in the…