Enhanced reversibility of the magnetoelastic transition in (Mn,Fe)2(P,Si) alloys via minimizing the transition-induced elastic strain energy
Enhanced reversibility of the magnetoelastic transition in (Mn,Fe)2(P,Si) alloys via minimizing the transition-induced elastic strain energy
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通过最小化转变引起的弹性应变能增强 (Mn,Fe)2(P,Si) 合金中磁致弹性转变的可逆性
DOI：
10.1016/j.jmst.2021.05.087
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发表时间：
2022
影响因子：
10.9
通讯作者：
Brück Ekkes
中科院分区：
文献类型：
--
作者：
Miao Xuefei;Gong Yong;Zhang Fengqi;You Yurong;Caron Luana;Qian Fengjiao;Guo Wenhui;Zhang Yujing;Gong Yuanyuan;Xu Feng;van Dijk Niels;Brück Ekkes
经历可逆相变的磁热材料对于磁制冷应用是高度期望的。(Mn，Fe）2（P，Si）合金表现出巨磁热效应并伴随着磁弹性转变，而显著的不可逆性导致连续冷却循环期间磁热性能的急剧退化。在本工作中，我们进行了全面的研究（Mn，Fe）2（P，Si）合金的磁弹性转变的高分辨率透射电子显微镜，在situfield-和温度相关的中子粉末衍射以及密度泛函理论计算（DFT）。我们发现了（Mn，Fe）2（P，Si）族的热滞后和过渡诱导的弹性应变能之间的一般关系。热滞效应从11 K降低到1 K，降低幅度仅为4 at.% Mn_（1.15）Fe_（0.80）P_（0.45）Si_（0.55）合金中Mo替代Fe。这种减少被认为是由于过渡引起的弹性应变能的强烈减少。与母合金相比，磁弹性转变的可逆性显着增强，导致可逆磁热性能显着改善。基于密度泛函理论计算和中子衍射实验，我们还阐明了（Mn，Fe）2（P，Si）族化合物转变温度可调的机制，其本质是共价键和铁磁交换耦合之间的强烈竞争.本工作不仅提供了一个新的策略，以提高一级磁转变的可逆性，但在巨磁热材料的电子自旋晶格耦合的重要见解。
Magnetocaloric materials undergoing reversible phase transitions are highly desirable for magnetic refrigeration applications. (Mn,Fe)2(P,Si) alloys exhibit a giant magnetocaloric effect accompanied by a magnetoelastic transition, while the noticeable irreversibility causes drastic degradation of the magnetocaloric properties during consecutive cooling cycles. In the present work, we performed a comprehensive study on the magnetoelastic transition of the (Mn,Fe)2(P,Si) alloys by high-resolution transmission electron microscopy,in situfield- and temperature-dependent neutron powder diffraction as well as density functional theory calculations (DFT). We found a generalized relationship between the thermal hysteresis and the transition-induced elastic strain energy for the (Mn,Fe)2(P,Si) family. The thermal hysteresis was greatly reduced from 11 to 1 K by a mere 4 at.% substitution of Fe by Mo in the Mn1.15Fe0.80P0.45Si0.55alloy. This reduction is found to be due to a strong reduction in the transition-induced elastic strain energy. The significantly enhanced reversibility of the magnetoelastic transition leads to a remarkable improvement of the reversible magnetocaloric properties, compared to the parent alloy. Based on the DFT calculations and the neutron diffraction experiments, we also elucidated the underlying mechanism of the tunable transition temperature for the (Mn,Fe)2(P,Si) family, which can essentially be attributed to the strong competition between the covalent bonding and the ferromagnetic exchange coupling. The present work provides not only a new strategy to improve the reversibility of a first-order magnetic transition but also essential insight into the electron-spin-lattice coupling in giant magnetocaloric materials.
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