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Emergence of long-range order in BaTiO3 from local symmetry-breaking distortions.

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 correlation...

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Publication status:
Published
Peer review status:
Peer reviewed

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
More from this funder
Name:
European Research Council
Funding agency for:
Goodwin, A
Grant:
279705
More from this funder
Name:
Royal Commission for the Exhibition of 1851
Funding agency for:
Keen, D
Publisher:
American Physical Society
Journal:
Physical Review Letters More from this journal
Volume:
116
Issue:
20
Pages:
207602
Publication date:
2016-05-01
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
Language:
English
Pubs id:
pubs:625669
UUID:
uuid:f3e2cf10-3414-4d2d-a838-27bbb1cfb859
Local pid:
pubs:625669
Source identifiers:
625669
Deposit date:
2016-06-29

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