New insights into the magnetism and magnetic structure of LuCrO3 perovskite.

IF 1.3 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2024-10-01 Epub Date: 2024-09-03 DOI:10.1107/S2052520624006711
Angel Muñoz, Javier Gainza, Jian Shi Zhou, José Luis Martinez, Eva Céspedes, Maria Teresa Fernández-Díaz, José Antonio Alonso
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Abstract

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.

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对 LuCrO3 包晶的磁性和磁性结构的新认识。
通过中子粉末衍射(NPD)和磁化测量对多晶样品 LuCrO3 进行了表征。根据中子粉末衍射数据对其晶体结构进行了里特维尔德精炼,其空间群为 Pnma;这种透辉石含有强烈倾斜的 CrO6 八面体,Cr-O-Cr 的超交换角为 142°。NPD 数据显示,在奈尔温度(TN ≃ 131 K)以下,磁性结构可定义为 Cr3+ 磁矩的 A 型反铁磁排列,沿 b 轴排列,沿 c 轴倾斜。在跨 TN 冷却时,观察到单位晶胞参数和体积有明显的磁致伸缩效应。交流磁感应强度表明在 112.6 K 以下开始出现磁有序化;TN 以下的磁化等温线显示出一种非线性行为,这与所述的 Cr3+ 磁矩倾斜有关。根据居里-魏斯定律,Cr3+ 亚晶格的有效磁矩为 μeff = 3.55 μB(计算值为 3.7 μB),而 ΘCW 参数值为 -155 K,表明存在反铁磁相互作用。在施加外部压力时,TN 值明显增加,这一定是由于在压缩过程中 Cr-O 键长度缩短,从而增加了轨道重叠积分。
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来源期刊
Acta crystallographica Section B, Structural science, crystal engineering and materials
Acta crystallographica Section B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY
CiteScore
3.60
自引率
5.30%
发文量
0
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.
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