Angel Muñoz, Javier Gainza, Jian Shi Zhou, José Luis Martinez, Eva Céspedes, Maria Teresa Fernández-Díaz, José Antonio Alonso
{"title":"对 LuCrO3 包晶的磁性和磁性结构的新认识。","authors":"Angel Muñoz, Javier Gainza, Jian Shi Zhou, José Luis Martinez, Eva Céspedes, Maria Teresa Fernández-Díaz, José Antonio Alonso","doi":"10.1107/S2052520624006711","DOIUrl":null,"url":null,"abstract":"<p><p>A polycrystalline sample LuCrO<sub>3</sub> has been characterized by neutron powder diffraction (NPD) and magnetization measurements. Its crystal structure has been Rietveld refined from NPD data in space group Pnma; this perovskite contains strongly tilted CrO<sub>6</sub> octahedra with extremely bent Cr-O-Cr superexchange angles of ∼142°. The NPD data show that below Néel temperature (T<sub>N</sub> ≃ 131 K), the magnetic structure can be defined as an A-type antiferromagnetic arrangement of Cr<sup>3+</sup> magnetic moments, aligned along the b axis, with a canting along the c axis. A noticeable magnetostrictive effect is observed in the unit-cell parameters and volume upon cooling down across T<sub>N</sub>. The AC magnetic susceptibility indicates the onset of magnetic ordering below 112.6 K; the magnetization isotherms below T<sub>N</sub> show a nonlinear behaviour that is associated with the described canting of the Cr<sup>3+</sup> magnetic moments. From the Curie-Weiss law, the effective moment of the Cr<sup>3+</sup> sublattice is found to be μ<sub>eff</sub> = 3.55 μ<sub>B</sub> (calculated 3.7 μ<sub>B</sub>) while the Θ<sub>CW</sub> parameter yields a value of -155 K, indicating antiferromagnetic interactions. There is a conspicuous increase of T<sub>N</sub> upon the application of external pressure, which must be due to shortening of the Cr-O bond length under compression that increases the orbital overlap integral.</p>","PeriodicalId":7320,"journal":{"name":"Acta crystallographica Section B, Structural science, crystal engineering and materials","volume":null,"pages":null},"PeriodicalIF":1.3000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11457101/pdf/","citationCount":"0","resultStr":"{\"title\":\"New insights into the magnetism and magnetic structure of LuCrO<sub>3</sub> perovskite.\",\"authors\":\"Angel Muñoz, Javier Gainza, Jian Shi Zhou, José Luis Martinez, Eva Céspedes, Maria Teresa Fernández-Díaz, José Antonio Alonso\",\"doi\":\"10.1107/S2052520624006711\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>A polycrystalline sample LuCrO<sub>3</sub> has been characterized by neutron powder diffraction (NPD) and magnetization measurements. Its crystal structure has been Rietveld refined from NPD data in space group Pnma; this perovskite contains strongly tilted CrO<sub>6</sub> octahedra with extremely bent Cr-O-Cr superexchange angles of ∼142°. The NPD data show that below Néel temperature (T<sub>N</sub> ≃ 131 K), the magnetic structure can be defined as an A-type antiferromagnetic arrangement of Cr<sup>3+</sup> magnetic moments, aligned along the b axis, with a canting along the c axis. A noticeable magnetostrictive effect is observed in the unit-cell parameters and volume upon cooling down across T<sub>N</sub>. The AC magnetic susceptibility indicates the onset of magnetic ordering below 112.6 K; the magnetization isotherms below T<sub>N</sub> show a nonlinear behaviour that is associated with the described canting of the Cr<sup>3+</sup> magnetic moments. From the Curie-Weiss law, the effective moment of the Cr<sup>3+</sup> sublattice is found to be μ<sub>eff</sub> = 3.55 μ<sub>B</sub> (calculated 3.7 μ<sub>B</sub>) while the Θ<sub>CW</sub> parameter yields a value of -155 K, indicating antiferromagnetic interactions. There is a conspicuous increase of T<sub>N</sub> upon the application of external pressure, which must be due to shortening of the Cr-O bond length under compression that increases the orbital overlap integral.</p>\",\"PeriodicalId\":7320,\"journal\":{\"name\":\"Acta crystallographica Section B, Structural science, crystal engineering and materials\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.3000,\"publicationDate\":\"2024-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11457101/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta crystallographica Section B, Structural science, crystal engineering and materials\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1107/S2052520624006711\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/9/3 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica Section B, Structural science, crystal engineering and materials","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S2052520624006711","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/9/3 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
New insights into the magnetism and magnetic structure of LuCrO3 perovskite.
A polycrystalline sample LuCrO3 has been characterized by neutron powder diffraction (NPD) and magnetization measurements. Its crystal structure has been Rietveld refined from NPD data in space group Pnma; this perovskite contains strongly tilted CrO6 octahedra with extremely bent Cr-O-Cr superexchange angles of ∼142°. The NPD data show that below Néel temperature (TN ≃ 131 K), the magnetic structure can be defined as an A-type antiferromagnetic arrangement of Cr3+ magnetic moments, aligned along the b axis, with a canting along the c axis. A noticeable magnetostrictive effect is observed in the unit-cell parameters and volume upon cooling down across TN. The AC magnetic susceptibility indicates the onset of magnetic ordering below 112.6 K; the magnetization isotherms below TN show a nonlinear behaviour that is associated with the described canting of the Cr3+ magnetic moments. From the Curie-Weiss law, the effective moment of the Cr3+ sublattice is found to be μeff = 3.55 μB (calculated 3.7 μB) while the ΘCW parameter yields a value of -155 K, indicating antiferromagnetic interactions. There is a conspicuous increase of TN upon the application of external pressure, which must be due to shortening of the Cr-O bond length under compression that increases the orbital overlap integral.
期刊介绍:
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.