CoVO3 High‐Pressure Polymorphs: To Order or Not to Order?
Abstract 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, pr...
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| Format: | Article |
| Language: | English |
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Wiley
2024-03-01
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| Series: | Advanced Science |
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| Online Access: | https://doi.org/10.1002/advs.202307766 |
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| author | Elena Solana‐Madruga Olivier Mentré Alexander A. Tsirlin Marielle Huvé Dmitry Khalyavin Clemens Ritter Angel Moisés Arévalo‐López |
| author_facet | Elena Solana‐Madruga Olivier Mentré Alexander A. Tsirlin Marielle Huvé Dmitry Khalyavin Clemens Ritter Angel Moisés Arévalo‐López |
| author_sort | Elena Solana‐Madruga |
| collection | DOAJ |
| description | Abstract 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. |
| first_indexed | 2024-03-07T14:13:56Z |
| format | Article |
| id | doaj.art-bb074c7801d74a798024bcf39844756a |
| institution | Directory Open Access Journal |
| issn | 2198-3844 |
| language | English |
| last_indexed | 2024-03-07T14:13:56Z |
| publishDate | 2024-03-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advanced Science |
| spelling | doaj.art-bb074c7801d74a798024bcf39844756a2024-03-06T14:04:50ZengWileyAdvanced Science2198-38442024-03-01119n/an/a10.1002/advs.202307766CoVO3 High‐Pressure Polymorphs: To Order or Not to Order?Elena Solana‐Madruga0Olivier Mentré1Alexander A. Tsirlin2Marielle Huvé3Dmitry Khalyavin4Clemens Ritter5Angel Moisés Arévalo‐López6UMR‐8181‐UCCS‐Unité de Catalyse et Chimie du Solide Univ. Lille CNRS Centrale Lille ENSCL Univ. Artois Lille F‐59000 FranceUMR‐8181‐UCCS‐Unité de Catalyse et Chimie du Solide Univ. Lille CNRS Centrale Lille ENSCL Univ. Artois Lille F‐59000 FranceFelix Bloch Institute for Solid‐State Physics Leipzig University 04103 Leipzig GermanyUMR‐8181‐UCCS‐Unité de Catalyse et Chimie du Solide Univ. Lille CNRS Centrale Lille ENSCL Univ. Artois Lille F‐59000 FranceISIS Facility Rutherford Appleton Laboratory Harwell, Didcot Oxford OX11 0QX UKInstitut Laue‐Langevin 71 Avenue des Martyrs, Cedex Grenoble 32042 FranceUMR‐8181‐UCCS‐Unité de Catalyse et Chimie du Solide Univ. Lille CNRS Centrale Lille ENSCL Univ. Artois Lille F‐59000 FranceAbstract 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.https://doi.org/10.1002/advs.202307766cation orderinghigh‐pressure phasesmagnetism |
| spellingShingle | Elena Solana‐Madruga Olivier Mentré Alexander A. Tsirlin Marielle Huvé Dmitry Khalyavin Clemens Ritter Angel Moisés Arévalo‐López CoVO3 High‐Pressure Polymorphs: To Order or Not to Order? Advanced Science cation ordering high‐pressure phases magnetism |
| title | CoVO3 High‐Pressure Polymorphs: To Order or Not to Order? |
| title_full | CoVO3 High‐Pressure Polymorphs: To Order or Not to Order? |
| title_fullStr | CoVO3 High‐Pressure Polymorphs: To Order or Not to Order? |
| title_full_unstemmed | CoVO3 High‐Pressure Polymorphs: To Order or Not to Order? |
| title_short | CoVO3 High‐Pressure Polymorphs: To Order or Not to Order? |
| title_sort | covo3 high pressure polymorphs to order or not to order |
| topic | cation ordering high‐pressure phases magnetism |
| url | https://doi.org/10.1002/advs.202307766 |
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