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Recipes for improper ferroelectricity in molecular perovskites
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Boström, Hanna L. B., Senn, Mark S. and Goodwin, Andrew L. (2018) Recipes for improper ferroelectricity in molecular perovskites. Nature Communications, 9 (1). 2380. doi:10.1038/s41467-018-04764-x ISSN 2041-1723.
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Official URL: http://dx.doi.org/10.1038/s41467-018-04764-x
Abstract
The central goal of crystal engineering is to control material function via rational design of structure. A particularly successful realisation of this paradigm is hybrid improper ferroelectricity in layered perovskite materials, where layering and cooperative octahedral tilts combine to break inversion symmetry. However, in the parent family of inorganic ABX3 perovskites, symmetry prevents hybrid coupling to polar distortions. Here, we use group-theoretical analysis to uncover a profound enhancement of the number of improper ferroelectric coupling schemes available to molecular perovskites. This enhancement arises because molecular substitution diversifies the range of distortions possible. Not only do our insights rationalise the emergence of polarisation in previously studied materials, but we identify the fundamental importance of molecular degrees of freedom that are straightforwardly controlled from a synthetic viewpoint. We envisage that the crystal design principles we develop here will enable targeted synthesis of a large family of new acentric functional materials.
Item Type: | Journal Article | |||||||||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | |||||||||||||||
Library of Congress Subject Headings (LCSH): | Perovskite, Ferromagnetism, Crystallography | |||||||||||||||
Journal or Publication Title: | Nature Communications | |||||||||||||||
Publisher: | Nature Publishing Group | |||||||||||||||
ISSN: | 2041-1723 | |||||||||||||||
Official Date: | 18 June 2018 | |||||||||||||||
Dates: |
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Volume: | 9 | |||||||||||||||
Number: | 1 | |||||||||||||||
Article Number: | 2380 | |||||||||||||||
DOI: | 10.1038/s41467-018-04764-x | |||||||||||||||
Status: | Peer Reviewed | |||||||||||||||
Publication Status: | Published | |||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | |||||||||||||||
Date of first compliant deposit: | 12 July 2018 | |||||||||||||||
Date of first compliant Open Access: | 12 July 2018 | |||||||||||||||
RIOXX Funder/Project Grant: |
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