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Electronic structure, magnetic properties and magnetocaloric performance in rare earths (RE) based RE2BaZnO5 (RE = Gd, Dy, Ho, and Er) compounds
Acta Materialia ( IF 9.4 ) Pub Date : 2022-06-23 , DOI: 10.1016/j.actamat.2022.118114
Peng Xu , Liang Hu , Zhenqian Zhang , Haifeng Wang , Lingwei Li

Nowadays, the rare earths (RE) based magnetic materials with various promising functional characterizations are playing particularly important roles in present modern society and daily life. The magnetocaloric (MC) effect which is the basis of solid state magnetic refrigeration (MR) technology has been extensively investigated in various magnetic materials. In this work, a series of high quality RE-based RE2BaZnO5 (RE = Gd, Dy, Ho, and Er) compounds have been fabricated and a combination of theoretical and experimental investigation has been performed in terms of the crystal structure, electronic structure, magnetic properties and magnetic phase transition (MPT) as well as the MC effects and MC performance. All the RE2BaZnO5 compounds are confirmed to crystallize in the orthorhombic structure belonging to Pnma space group and with a typical semi-conductor characteristic. Based on the magnetization measurements and the first principle calculations, all the RE2BaZnO5 compounds are ordering magnetically below 3 K and the ground state is of a ferromagnetic (FM) ordering for RE = Dy or Ho, whereas is of an antiferromagnetic (AFM) ordering for RE = Gd or Er, respectively. Additionally, considerable MC effects have been observed for all the RE2BaZnO5 compounds which are related to the first ordered MPT for RE = Gd or Er, whereas related to the second order MPT for RE = Dy or Ho, respectively. Moreover, considerable MC effects and promising MC performance have been realized in the present RE2BaZnO5 compounds, especially for the Dy2BaZnO5 and Ho2BaZnO5, making them considerable for cryogenic MR applications.



中文翻译:

稀土 (RE) 基 RE2BaZnO5(RE = Gd、Dy、Ho 和 Er)化合物的电子结构、磁性和磁热性能

如今,具有各种有前途的功能特性的稀土(RE)基磁性材料在现代社会和日常生活中发挥着尤为重要的作用。作为固态磁制冷 (MR) 技术基础的磁热 (MC) 效应已在各种磁性材料中得到广泛研究。在这项工作中,一系列高质量的RERE 2 BaZnO 5 ( RE = Gd、Dy、Ho 和 Er) 化合物已被制造出来,并在晶体结构、电子结构、磁性和磁相变 (MPT) 以及 MC 效应方面进行了理论和实验研究的结合和MC性能。所有RE 2 BaZnO 5化合物均以正交晶系结构结晶,属于Pnma空间群,具有典型的半导体特性。基于磁化测量和第一性原理计算,所有RE 2 BaZnO 5化合物在 3 K 以下磁性有序, RE的基态​​为铁磁(FM)有序 = Dy 或 Ho,而分别是RE  = Gd 或 Er 的反铁磁 (AFM) 排序。此外,对于所有RE 2 BaZnO 5化合物,已经观察到相当大的 MC 效应,它们分别与RE = Gd 或 Er 的一阶 MPT 相关,而对于RE  = Dy 或 Ho 分别 与二阶 MPT 相关。此外,在目前的RE 2 BaZnO 5化合物中,特别是对于 Dy 2 BaZnO 5和 Ho 2 BaZnO 5 ,已经实现了相当大的 MC 效果和良好的 MC 性能。,使它们在低温 MR 应用中相当可观。

更新日期:2022-06-23
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