Tuning structure and magnetic properties of table-like magnetocaloric effect in Er6MnSb2 by Zr substitution

Tuning structure and magnetic properties of table-like magnetocaloric effect in Er6MnSb2 by Zr substitution
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Zr取代调节Er6MnSb2表状磁热效应的结构和磁性能

DOI:
10.1016/j.jre.2022.08.002
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发表时间:
2022-08
影响因子:
4.9
通讯作者:
Cuiyun He
Cuiyun He
中科院分区:
化学2区
文献类型:
--
作者:
Tonghan Yang;Jiliang Zhang;Wei He;Kaimin Shih;Shengshou Ma;Cuiyun He

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本研究成功地在Fe2P型Er6-xZrxMnSb2(x=0,0.5,1,1.5)中成功地替代了Er,并对其晶体结构、电子结构和磁性进行了全面的表征。根据同步辐射粉末X射线衍射数据分析和密度泛函理论计算,在掺杂过程中,Zr不是无规的,而是优先占据,导致较弱的磁交换作用和压低的有序温度。电子结构数据表明,Zr的掺杂可以削弱Er和Mn原子之间的相互作用。Er_(6-x)Zr_x_xMnSb_2(x=0,0.5,1,1.5)由于存在多重相变,呈现出台状磁热效应。Er6MnSb2的半高宽(δT FWHM)为116K,相对冷却功率为388.62 J/kg,最大磁熵变从3.81J/(kg·K)增加到7.69J/(kg·K)。
In this study, Zr successfully substituted for Er in Er 6– x Zr x MnSb 2 ( x = 0, 0.5, 1, 1.5) of the Fe 2 P type, with comprehensive characterizations on crystal structure, electronic structure and magnetic properties. According to synchrotron powder X-ray diffraction data analysis and density functional theory calculation, Zr is not randomly but preferentially occupies during the doping process and results in weaker magnetic exchange interactions and depressed ordering temperatures. The electronic structure data show that the doping of Zr can weaken interaction between Er and Mn atoms. Owing to multiple transitions, the Er 6– x Zr x MnSb 2 ( x = 0, 0.5, 1, 1.5) exhibit table-like magnetocaloric effect. Er 6 MnSb 2 displays wide δ T FWHM (full width at half maximum of the magnetic entropy change curve) of 116 K and high relative cooling power of 388.62 J/kg for 3 T. The maximum magnetic entropy change of Er 6– x Zr x MnSb 2 is increasing from 3.81 J/(kg·K) to 7.69 J/(kg·K) with the Zr content up from x = 0 to x = 1.5.
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