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Compositional Optimization and Structural Properties of the Filled Skutterudite Smy(FexNi1−x)4Sb11.5Sn0.5
Metals ( IF 2.9 ) Pub Date : 2020-05-25 , DOI: 10.3390/met10050692
Cristina Artini , Riccardo Carlini , Lara Gigli , Carlo Fanciulli

A compositional and crystallographic study was carried out on the Smy(FexNi1−x)4Sb11.5Sn0.5 filled skutterudite system (0.40 ≤ x ≤ 0.80) with the aim to determine the equilibrium Sm filling fraction (y) within the considered x range. The relevance of the material lies in its potential thermoelectric properties: in analogy with similar skutterudites systems, these features should in fact result as being improved with respect to the ones of the corresponding Sn-free system thanks to the partial substitution of Sn for Sb, which is expected to lower the phonon thermal conductivity. The results of Rietveld refinements allowed us to study the skutterudite structural properties and to discuss them, adopting a comparative approach with respect to the ones of the Sn-free system Smy(FexNi1−x)4Sb12. Relying on the refined Sm occupancy factors, the p/n crossover is shown to be located at x ⁓ 0.53, meaning that the introduction of Sn induces an enlargement of the p-region; moreover, at variance with the Sn-free system, the coefficient of thermal expansion does not show any significant mismatch between n- and p- compositions, which should ensure a prolonged lifetime of a device made of n- and p- legs that both derive from the studied system.

中文翻译:

填充方钴矿Smy(FexNi1-x)4Sb11.5Sn0.5的成分优化和结构性能

的组成和晶体研究在Sm进行ý(铁X的Ni 1-X 4 Sb的11.5的Sn 0.5填充方钴矿系统(0.40≤ X ≤0.80),目的是确定该平衡的Sm填充分数(Ý内的)考虑到x范围。该材料的相关性在于其潜在的热电特性:与类似的方钴矿系统类似,由于相应地将Sn部分替换为Sn,这些特征实际上应相对于相应的无锡系统得到改善。预期会降低声子的热导率。Rietveld精炼的结果使我们能够研究方钴矿的结构特性并对其进行讨论,并对无锡系统Sm y(Fe x Ni 1-x4 Sb 12进行比较。依靠精简的Sm占用因子,p / n交叉显示为位于X ⁓0.53,这意味着引入的Sn的诱导的放大p -region; 此外,与无锡系统不同,热膨胀系数在n-p-组成之间不会显示任何明显的不匹配,这应确保由np支腿构成的器件的使用寿命延长从研究的系统。
更新日期:2020-05-25
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