CoVO3 High-Pressure Polymorphs: To Order or Not to Order?

Document type :

Article dans une revue scientifique: Article original

DOI :

10.1002/advs.202307766

Permalink :

http://hdl.handle.net/20.500.12210/103217

Title :

CoVO3 High-Pressure Polymorphs: To Order or Not to Order?

Author(s) :

Solana Madruga, Elena [Auteur]

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Mentre, Olivier [Auteur]

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Tsirlin, Alexander A. [Auteur]
Leipzig University / Universität Leipzig
Huvé, Marielle [Auteur]

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Khalyavin, D. [Auteur]
Ritter, Clemens [Auteur]
Institut Laue-Langevin [ILL]
Arevalo-Lopez, Angel [Auteur]

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181

Journal title :

Advanced Science

Abbreviated title :

Adv. Sci.

Publication date :

2024-01-03

ISSN :

2198-3844

English keyword(s) :

cation ordering
high-pressure phases
magnetism

HAL domain(s) :

Chimie/Chimie inorganique

English abstract : [en]

Materials properties are determined by their compositions and structures. In ABO3 oxides different cation orderings lead to mainly perovskite- or corundum like derivatives with exciting physical properties. Sometimes, a ...
Show more >Materials properties are determined by their compositions and structures. In ABO3 oxides different cation orderings lead to mainly perovskite- or corundum like derivatives with exciting physical properties. Sometimes, a material can be stabilized in more than one structural modification, providing a unique opportunity to explore structure-properties relationship. Here, CoVO3 obtained in both ilmenite-(CoVO3-I) and LiNbO3-type (CoVO3-II) polymorphs at moderate (8–12 GPa) and high pressures (22 GPa), respectively are presented. Their distinctive cation distributions affect drastically the magnetic properties as CoVO3-II shows a cluster-glass behavior while CoVO3-I hosts a honeycomb zigzag magnetic structure in the cobalt network. First principles calculations show that the influence of vanadium is crucial for CoVO3-I, although it is previously considered as non-magnetic in a dimerized spin-singlet state. Contrarily, CoVO3-II shows two independent interpenetrating antiferromagnetic Co- and ferromagnetic V-hcp sublattices, which intrinsically frustrate any possible magnetic order. CoVO3-II is also remarkable as the first oxide crystallizing with the LiNbO3-type structure where both metals contain free d electrons. CoVO3 polymorphs pinpoint therefore as well to a much broader phase field of high-pressure A-site Cobaltites.Show less >

Language :

Anglais

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS
Centrale Lille
ENSCL
Univ. Artois

Collections :

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181

Research team(s) :

Matériaux inorganiques, structures, systèmes et propriétés (MISSP)

Submission date :

2024-01-18T22:08:46Z
2024-02-07T12:20:38Z

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