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

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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.

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

  • This article is part of the themed collection: Perovskites
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Publication details

The article was received on 28 Dec 2018, accepted on 04 Feb 2019 and first published on 13 Feb 2019


Article type: Communication
DOI: 10.1039/C8CC10126D
Citation: Chem. Commun., 2019, Advance Article

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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, Advance Article , DOI: 10.1039/C8CC10126D

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