Aurivillius; Co and Ni; Computational studies; Divalents; Ferrimagnetics; Ferroelectric property; Lows-temperatures; Oxide ions; Oxide-fluoride; Research focus; Chemistry (all); Chemical Engineering (all); Materials Chemistry
Abstract :
[en] Aurivillius oxides have been a research focus due to their ferroelectric properties, but by replacing oxide ions by fluoride, divalent magnetic cations can be introduced, giving Bi2 MO2F4 (M = Fe, Co, and Ni). Our combined experimental and computational study on Bi2CoO2F4 indicates a low-temperature polar structure of P21 ab symmetry (analogous to ferroelectric Bi2WO6) and a ferrimagnetic ground state. These results highlight the potential of Aurivillius oxide-fluorides for multiferroic properties. Our research has also revealed some challenges associated with the reduced tendency for polar displacements in the more ionic fluoride-based systems.
Disciplines :
Physics
Author, co-author :
Scott, Euan A S; School of Physical Sciences, University of Kent, Kent, Canterbury CT2 7NH, U.K
Mitoudi Vagourdi, Eleni; Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden
Johnsson, Mats ; Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden
Cascos, Vanessa; School of Physical Sciences, University of Kent, Kent, Canterbury CT2 7NH, U.K
John, Filbin; School of Physical Sciences, University of Kent, Kent, Canterbury CT2 7NH, U.K
Pickup, Dave; School of Physical Sciences, University of Kent, Kent, Canterbury CT2 7NH, U.K
Chadwick, Alan V ; School of Physical Sciences, University of Kent, Kent, Canterbury CT2 7NH, U.K
Djani, Hania; Centre de Développement des Technologies Avancées, cité 20 aout 1956, Baba Hassan, Alger 16081, Algeria
Bousquet, Eric ; Université de Liège - ULiège > Département de physique
Zhang, Weiguo; Department of Chemistry, University of Houston, 112 Fleming Building, Houston, Texas 77204, United States
Halasyamani, P Shiv ; Department of Chemistry, University of Houston, 112 Fleming Building, Houston, Texas 77204, United States
McCabe, Emma E ; School of Physical Sciences, University of Kent, Kent, Canterbury CT2 7NH, U.K ; Department of Physics, Durham University, South Road, Durham DH1 3LE, U.K
Language :
English
Title :
Bi2CoO2F4 - A Polar, Ferrimagnetic Aurivillius Oxide-Fluoride.
Publication date :
08 November 2022
Journal title :
Chemistry of Materials
ISSN :
0897-4756
eISSN :
1520-5002
Publisher :
American Chemical Society, United States
Volume :
34
Issue :
21
Pages :
9775 - 9785
Peer reviewed :
Peer Reviewed verified by ORBi
Tags :
CÉCI : Consortium des Équipements de Calcul Intensif Tier-1 supercomputer
Royal Society Welch Foundation Sverige Vetenskapsrådet Leverhulme Trust SFTC - Science and Technology Facilities Council RSV - Royal Society of Chemistry COST - European Cooperation in Science and Technology
Funding text :
We thank funding agencies including the Royal Society (international exchange scheme IES\R3\170112), The Leverhulme Trust (RPG-2017-362), and EU COST Action “Towards oxide-based electronics”. F.J. is grateful to the Analytical Division of the Royal Society of Chemistry for a funding to support his summer internship. We are grateful to the ISIS Neutron and Muon Source (STFC) for the provision of beamtime and to Dr. Ivan da Silva for assistance with data collection. NPD data are available at https://data.isis.stfc.ac.uk/doi/STUDY/105605763/ . We are grateful to Prof. T. Lancaster for helpful discussions. P.S.H. and W.Z. thank the Welch Foundation (grant E-1457) and the NSF (DMR-2002319) for support. XANES data were collected via the “ENERGY Materials” Block Allocation Grant at Diamond Light Source. E.M.V. and M.J. are grateful to the Swedish Research Council (VR) grant 2014-3931. Computational resources were provided by the Consortium des Equipements de Calcul Intensif (CECI) and the Tier-1 supercomputer of the Fédération Wallonie-Bruxelles.
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