Theoretical modelling of magnetic and magnetocaloric properties in rare-earth high-entropy compounds: Insights from Gd0.2Tb0.2Dy0.2Ho0.2Er0.2Al2

IF 6.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Journal of Alloys and Compounds Pub Date : 2025-06-21 DOI:10.1016/j.jallcom.2025.181775

R.S. de Oliveira, A.M.G. Carvalho, V.S.R. Sousa, E.P. Nóbrega, S.S. dos Santos Jr., P.J. von Ranke, P.O. Ribeiro, B.P. Alho

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Abstract

In this study, we investigate the magnetic and magnetocaloric properties of the high-entropy compound (HECs) Gd₀.₂Tb₀.₂Dy₀.₂Ho₀.₂Er₀.₂Al₂, focusing on the complex interactions between rare-earth sublattices. Our multi-sublattice Hamiltonian model considers crystalline electric field interactions, Zeeman effect for the five rare-earth sublattices and the exchange interaction among combinations of rare-earth ions. Intra- and inter-sublattice exchange interactions were adjusted based on parent RAl₂ compounds and pseudo-binary R₁₋ₓR’ₓAl₂ (with R and R’ corresponding to rare-earth elements) materials to match the Curie temperature and magnetocaloric behavior. Our theoretical model shows good agreement with experimental data. The easy magnetization direction was determined to be along the 〈111〉 axis. We also compared the magnetocaloric performance of the HECs with simulated composites. This study suggests that HECs based on RAl₂ compounds have potential for optimizing magnetocaloric behavior, particularly in low-temperature cooling applications.

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稀土高熵化合物磁性和磁热学性质的理论建模：来自Gd0.2Tb0.2Dy0.2Ho0.2Er0.2Al2的见解

在本研究中，我们研究了高熵化合物（HECs）的磁性和磁热学性质（Gd 0 . 2 Tb 0 . 2 Dy 0 . 2 Ho 0 . 2 Er 0）。2 Al 2，关注稀土亚晶格之间复杂的相互作用。我们的多亚晶格哈密顿模型考虑了晶体电场相互作用、五个稀土亚晶格的塞曼效应以及稀土离子组合之间的交换相互作用。根据母体RAl₂化合物和伪二元R₁₁ₓR’ₓAl₂（R和R’对应稀土元素）材料调整亚晶格内和亚晶格间的交换相互作用，以匹配居里温度和磁热行为。我们的理论模型与实验数据吻合良好。确定易磁化方向沿< 111 >轴。我们还比较了hec和模拟复合材料的磁热性能。这项研究表明，基于RAl₂化合物的HECs具有优化磁热行为的潜力，特别是在低温冷却应用中。

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来源期刊

Journal of Alloys and Compounds 工程技术-材料科学：综合

CiteScore

11.10

自引率

14.50%

发文量

5146

审稿时长

67 days

期刊介绍： The Journal of Alloys and Compounds is intended to serve as an international medium for the publication of work on solid materials comprising compounds as well as alloys. Its great strength lies in the diversity of discipline which it encompasses, drawing together results from materials science, solid-state chemistry and physics.