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

Dashnor Beqiri, Vanessa Cascos, Jennie Roberts-Watts, Ewan R Clark, Eric Bousquet, Nicholas C Bristowe, Emma E McCabe
Chemical Communications : Chem Comm 2019 Februrary 14
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.

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