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

doi:10.1039/C8CC10126D

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

Dashnor Beqiri,^a Vanessa Cascos,^a Jennie Roberts-Watts,^a Ewan R. Clark,^a Eric Bousquet,^b Nicholas C. Bristowe

^a and Emma E. McCabe

*^a

Author affiliations

* Corresponding authors

^a School of Physical Sciences, University of Kent, Canterbury, Kent, UK

^b Université de Liège, Institut de Physique B5a, Allée du 6 Août, 17, B-4000 Sart Tilman, Belgium
E-mail: e.e.mccabe@kent.ac.uk

Abstract

Herein we highlight the ability to tune the structural chemistry of A-site deficient perovskite materials Ln_1/3NbO₃. Computational studies explore the balance between proper and hybrid-improper mechanisms for polar behaviour in these systems.

This article is part of the themed collection: Perovskites

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Article information

DOI: https://doi.org/10.1039/C8CC10126D
Article type: Communication
Submitted: 28 Dec. 2018
Accepted: 04 Febr. 2019
First published: 13 Febr. 2019

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Chem. Commun., 2019,55, 2609-2612

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

D. Beqiri, V. Cascos, J. Roberts-Watts, E. R. Clark, E. Bousquet, N. C. Bristowe and E. E. McCabe, Chem. Commun., 2019, 55, 2609 DOI: 10.1039/C8CC10126D

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Chemical Communications

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

Abstract

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

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