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Mn-for-Fe substitution in Fe1-xMnxIn2S4 thiospinel – Crystal structure and thermoelectric properties
Journal of Physics and Chemistry of Solids ( IF 4.3 ) Pub Date : 2021-01-29 , DOI: 10.1016/j.jpcs.2021.109984
Paweł Wyżga , Igor Veremchuk , Primož Koželj , Andreas Leithe-Jasper , Roman Gumeniuk

Crystal structure as well as magnetic and thermoelectric properties of the quaternary Fe1-xMnxIn2S4 thiospinel were investigated. A complete homogeneity range between FeIn2S4 and MnIn2S4 was confirmed by powder X-ray diffraction phase analysis supported by a linear increase of the cubic unit-cell parameter for greater Mn content, obeying Vegard's law. Rietveld refinement revealed a gradual decrease of the inversion parameter i upon incorporation of Mn into the structure, which indicated a change from inverse spinel (for FeIn2S4) to nearly-normal spinel (for MnIn2S4). This quaternary compound is an n-type semiconductor with high electrical resistivity ρ > 5 × 10−4 Ω m and Seebeck coefficient |α| > 250 μV K−1 above RT. The thermal conductivity followed a compositional dependence typical for solid solutions and thus revealed a minimum for samples with 0.4 < x ≤ 0.8. The power factor and thermoelectric figure of merit monotonously decreased for greater Mn content within the quaternary compound. All samples showed magnetic transitions below 12 K with antiferromagnetic interactions. The determined effective magnetic moments corresponded to values for Fe2+ and Mn2+ ions.



中文翻译:

Fe 1- x Mn x In 2 S 4硫代松油中的锰取代铁–晶体结构和热电性能

研究了四元Fe 1- x Mn x In 2 S 4硫代松油的晶体结构以及磁和热电性能。通过粉末X射线衍射相分析证实了FeIn 2 S 4和MnIn 2 S 4之间的完全均匀性范围,该分析由立方单位晶胞参数线性增加以支持更大的Mn含量,遵循维格德定律。Rietveld精炼显示,将Mn掺入结构后,反型参数i逐渐减小,这表明与尖晶石有关(FeIn 2 S 4)到接近正常的尖晶石(对于MnIn 2 S 4)。该四元化合物是具有高电阻率ρ  > 5×10 -4Ωm 和塞贝克系数|的n型半导体。α | 高于RT > 250μVK -1。导热系数遵循固溶体的典型成分依赖性,因此对于0.4 <  x ≤0.8。随着四元化合物中锰含量的增加,功率因数和热电性能因数单调降低。所有样品均显示在12 K以下具有反铁磁相互作用的磁跃迁。所确定的有效磁矩对应于Fe 2+和Mn 2+离子的值。

更新日期:2021-02-10
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