Tuning octahedral tilts and the polar nature of A-site deficient perovskites

Chem Commun (Camb). 2019 Feb 26;55(18):2609-2612. doi: 10.1039/c8cc10126d.

Abstract

Herein we highlight the ability to tune the structural chemistry of A-site deficient perovskite materials Ln1/3NbO3. Computational studies explore the balance between proper and hybrid-improper mechanisms for polar behaviour in these systems.