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Single phase charge ordered stoichiometric CaFe3O5 with commensurate and incommensurate trimeron ordering

Abstract:
Mixed-valent transition metal compounds display complex structural, electronic and magnetic properties which can often be exquisitely tuned. Here the charge-ordered state of stoichiometric CaFe3O5 is probed using neutron powder diffraction, Monte Carlo simulation and symmetry analysis. Magnetic ordering is dominated by the formation of ferromagnetic Fe3+–Fe2+–Fe3+ trimers which are evident above the magnetic ordering transition. Between TN =289 K and 281 K an incommensurate magnetically ordered phase develops due to magnetic frustration, but a spin Jahn-Teller distortion lifts the frustration and enables the magnetic ordering to lock in to a charge-ordered commensurate state at lower temperatures. Stoichiometric CaFe3O5 exhibits single phase behaviour throughout and avoids the phase separation into two distinct crystallographic phases with different magnetic structures and Fe valence distributions reported recently, which likely occurs due to partial Fe2+ for Ca2+ substitution. This underlines the sensitivity of the magnetism and chemistry of these mixedvalent systems to composition.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1038/s41467-019-13450-5

Authors

More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry
Sub department:
Inorganic Chemistry
Oxford college:
Exeter College
Role:
Author


Publisher:
Nature Research
Journal:
Nature Communications More from this journal
Volume:
10
Issue:
2019
Article number:
5475
Publication date:
2019-12-02
Acceptance date:
2019-11-07
DOI:
ISSN:
2041-1723


Pubs id:
pubs:1070524
UUID:
uuid:4e403fed-fbd9-467e-b956-ae76e0d2b470
Local pid:
pubs:1070524
Source identifiers:
1070524
Deposit date:
2019-11-08
ARK identifier:

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