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Article Dans Une Revue Advanced Science Année : 2023

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


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.
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hal-04443916 , version 1 (07-02-2024)




Elena Solana Madruga, Olivier Mentre, Alexander A. Tsirlin, Marielle Huvé, D. Khalyavin, et al.. CoVO3 High-Pressure Polymorphs: To Order or Not to Order?. Advanced Science, 2023, Advanced Science, ⟨10.1002/advs.202307766⟩. ⟨hal-04443916⟩
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