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Emergence of long-range order in BaTiO3 from local symmetry-breaking distortions
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Senn, Mark S., Keen, D. A., Lucas, T. C. A., Hriljac, J. A. and Goodwin, A. L. (2016) Emergence of long-range order in BaTiO3 from local symmetry-breaking distortions. Physical Review Letters, 116 (20). 207602 . doi:10.1103/PhysRevLett.116.207602 ISSN 0031-9007.
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Official URL: http://dx.doi.org/10.1103/PhysRevLett.116.207602
Abstract
By using a symmetry motivated basis to evaluate local distortions against pair distribution function data (PDF), we show without prior bias, that the off-centre Ti displacements in the archetypal ferroelectric BaTiO3 are zone centred and rhombohedral-like across its known ferroelectric and paraelectric phases. We construct a simple Monte Carlo (MC) model which captures our main experimental findings and demonstrate how the rich crystallographic phase diagram of BaTiO3 emerges from correlations of local symmetry-breaking distortions alone. Our results strongly support the order-disorder picture for these phase transitions, but can also be reconciled with the soft-mode theory of BaTiO3 that is supported by some spectroscopic techniques.
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): | Barium compounds, Titanates, Broken symmetry (Physics), Symmetry (Physics), Long range order (Solid state physics) | ||||||||||||
Journal or Publication Title: | Physical Review Letters | ||||||||||||
Publisher: | American Physical Society | ||||||||||||
ISSN: | 0031-9007 | ||||||||||||
Official Date: | 20 May 2016 | ||||||||||||
Dates: |
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Volume: | 116 | ||||||||||||
Number: | 20 | ||||||||||||
Article Number: | 207602 | ||||||||||||
DOI: | 10.1103/PhysRevLett.116.207602 | ||||||||||||
Status: | Peer Reviewed | ||||||||||||
Publication Status: | Published | ||||||||||||
Access rights to Published version: | Restricted or Subscription Access | ||||||||||||
Date of first compliant deposit: | 6 April 2018 | ||||||||||||
Date of first compliant Open Access: | 9 April 2018 | ||||||||||||
RIOXX Funder/Project Grant: |
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