Large reversible magnetocaloric effect in antiferromagnetic Er3Si2C2 compound

IF 5.2 1区化学 Q1 CHEMISTRY, APPLIED Journal of Rare Earths Pub Date : 2024-08-01 DOI:10.1016/j.jre.2023.07.024

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Abstract

The magnetic properties, magnetic phase transition and magnetocaloric effects (MCE) of Er₃Si₂C₂ compound were investigated based on theoretical calculations and experimental analysis. Based on the first principles calculations, the antiferromagnetic (AFM) ground state type in Er₃Si₂C₂ compound was predicted and its electronic structure was investigated. The experimental results show that Er₃Si₂C₂ compound is an AFM compound with the Néel temperature (T_N) of 7 K and undergoes a field-induced first-order magnetic phase transition from AFM to ferromagnetic (FM) under magnetic fields exceeding 0.6 T at 2 K. The magnetic transition process of Er₃Si₂C₂ compound was investigated and discussed. The values of the maximum magnetic entropy change ( ${- Δ S}_{M}^{\max})$ and the refrigeration capacity (RC) are 17 J/(kg·K) and 193 J/kg under changing magnetic fields of 0–5 T, respectively. As a potential cryogenic magnetic refrigerant, the Er₃Si₂C₂ compound also provides an interesting research medium to study the magnetic phase transition process.

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反铁磁性Er3Si2C2化合物的大可逆磁热效应

基于理论计算和实验分析，研究了 Er3Si2C2 化合物的磁性能、磁相变和磁致效应（MCE）。在第一性原理计算的基础上，预测了 Er3Si2C2 化合物中的反铁磁（AFM）基态类型，并研究了其电子结构。实验结果表明，Er3Si2C2 化合物是一种奈尔温度（TN）为 7 K 的 AFM 化合物，在 2 K 时，在超过 0.6 T 的磁场作用下，会发生从 AFM 到铁磁（FM）的场诱导一阶磁相变。在 0-5 T 的变化磁场下，最大磁熵变（-ΔSMmax）和制冷量（RC）的值分别为 17 J/(kg-K) 和 193 J/kg。作为一种潜在的低温磁制冷剂，Er3Si2C2 化合物也为研究磁相变过程提供了一种有趣的研究介质。

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来源期刊

Journal of Rare Earths 化学-应用化学

CiteScore

8.70

自引率

14.30%

发文量

374

审稿时长

1.7 months

期刊介绍： The Journal of Rare Earths reports studies on the 17 rare earth elements. It is a unique English-language learned journal that publishes works on various aspects of basic theory and applied science in the field of rare earths (RE). The journal accepts original high-quality original research papers and review articles with inventive content, and complete experimental data. It represents high academic standards and new progress in the RE field. Due to the advantage of abundant RE resources of China, the research on RE develops very actively, and papers on the latest progress in this field emerge every year. It is not only an important resource in which technicians publish and obtain their latest research results on RE, but also an important way of reflecting the updated progress in RE research field. The Journal of Rare Earths covers all research and application of RE rare earths including spectroscopy, luminescence and phosphors, rare earth catalysis, magnetism and magnetic materials, advanced rare earth materials, RE chemistry & hydrometallurgy, RE metallography & pyrometallurgy, RE new materials, RE solid state physics & solid state chemistry, rare earth applications, RE analysis & test, RE geology & ore dressing, etc.