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Large Enhancement of Magnetocaloric and Barocaloric Effects by Hydrostatic Pressure in La(Fe0.92Co0.08)11.9Si1.1 with a NaZn13-Type Structure
Chemistry of Materials ( IF 7.2 ) Pub Date : 2020-02-12 , DOI: 10.1021/acs.chemmater.9b03915
Jiazheng Hao 1, 2 , Fengxia Hu 1, 3, 4 , Jian-Tao Wang 1, 3, 4 , Fei-Ran Shen 1, 3 , Zibing Yu 1, 3 , Houbo Zhou 1, 3 , Hui Wu 5 , Qingzhen Huang 5 , Kaiming Qiao 1, 3 , Jing Wang 1, 3, 6 , Jun He 2 , Lunhua He 1, 4, 7 , Ji-Rong Sun 1, 3, 4 , Baogen Shen 1, 3, 4
Chemistry of Materials ( IF 7.2 ) Pub Date : 2020-02-12 , DOI: 10.1021/acs.chemmater.9b03915
Jiazheng Hao 1, 2 , Fengxia Hu 1, 3, 4 , Jian-Tao Wang 1, 3, 4 , Fei-Ran Shen 1, 3 , Zibing Yu 1, 3 , Houbo Zhou 1, 3 , Hui Wu 5 , Qingzhen Huang 5 , Kaiming Qiao 1, 3 , Jing Wang 1, 3, 6 , Jun He 2 , Lunhua He 1, 4, 7 , Ji-Rong Sun 1, 3, 4 , Baogen Shen 1, 3, 4
Affiliation
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Solid-state refrigeration based on caloric effect has been regarded as an attractive alternative to the conventional gas compression technique. Boosting the caloric effect of a system to its optimum is a long-term pursuit. Here, we report enhanced magnetocaloric effect (MCE) and barocaloric effect (BCE) by hydrostatic pressure in La(Fe0.92Co0.08)11.9Si1.1 with a NaZn13-type structure. The entropy change ΔSMCE is almost doubled under 11.31 kbar, while the ΔSBCE is more than tripled under 9 kbar. To disclose the essence from the atomic level, neutron powder diffraction studies were performed. The results revealed that hydrostatic pressure sharpens the magnetoelastic transition and enlarges the volume change, ΔV/V, during the transition through altering the intra-icosahedral Fe–Fe bonds rather than the inter-icosahedral distances in the NaZn13-type structure. First-principles calculations were performed, which offers a theoretical support for the enlarged caloric effect related to the evolution of phase transition nature. Moreover, the enhanced lattice entropy change was calculated by Debye approximation, and a reliable way to evaluate BCE is demonstrated under a high pressure that DSC cannot reach. The present study proves that remarkable caloric effect enhancement can be achieved through tackling specific atomic environments by physical pressure, which may also be used to tailor other pressure-related effects, such as controllable negative thermal expansion.
中文翻译：
通过在La（铁静压磁热和Barocaloric影响的大增强0.92钴0.08）11.9的Si 1.1用的NaZn 13型结构
基于热量效应的固态制冷已被认为是传统气体压缩技术的一种有吸引力的替代方案。将系统的热量效应提升到最佳状态是一项长期的追求。在这里，我们报告了在具有NaZn 13型结构的La（Fe 0.92 Co 0.08）11.9 Si 1.1中，通过静水压力增强了磁热效应（MCE）和重压效应（BCE）。在11.31 kbar以下，熵变化ΔS MCE几乎翻了一番，而ΔS BCE在9 kbar以下的压力是三倍以上。为了从原子水平公开本质，进行了中子粉末衍射研究。结果表明，静水压力通过改变NaZn 13中的二十面体内Fe-Fe键而不是二十面体间的距离，使磁弹性转变更为尖锐，并增大了转变过程中的体积变化ΔV / V。型结构。进行了第一性原理计算，这为与相变性质的演化有关的扩大的热效应提供了理论支持。此外，通过Debye近似计算出增强的晶格熵变化，并证明了在DSC无法达到的高压下评估BCE的可靠方法。本研究证明，通过用物理压力应对特定的原子环境，可以显着提高热量效应，这也可以用于调整其他与压力有关的效应，例如可控的负热膨胀。
更新日期：2020-02-12
中文翻译：
通过在La（铁静压磁热和Barocaloric影响的大增强0.92钴0.08）11.9的Si 1.1用的NaZn 13型结构
基于热量效应的固态制冷已被认为是传统气体压缩技术的一种有吸引力的替代方案。将系统的热量效应提升到最佳状态是一项长期的追求。在这里，我们报告了在具有NaZn 13型结构的La（Fe 0.92 Co 0.08）11.9 Si 1.1中，通过静水压力增强了磁热效应（MCE）和重压效应（BCE）。在11.31 kbar以下，熵变化ΔS MCE几乎翻了一番，而ΔS BCE在9 kbar以下的压力是三倍以上。为了从原子水平公开本质，进行了中子粉末衍射研究。结果表明，静水压力通过改变NaZn 13中的二十面体内Fe-Fe键而不是二十面体间的距离，使磁弹性转变更为尖锐，并增大了转变过程中的体积变化ΔV / V。型结构。进行了第一性原理计算，这为与相变性质的演化有关的扩大的热效应提供了理论支持。此外，通过Debye近似计算出增强的晶格熵变化，并证明了在DSC无法达到的高压下评估BCE的可靠方法。本研究证明，通过用物理压力应对特定的原子环境，可以显着提高热量效应，这也可以用于调整其他与压力有关的效应，例如可控的负热膨胀。
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