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Crystal Structure and Thermoelectric Properties of Misfit-Layered Sulfides [Ln2S2] p NbS2 (Ln = Lanthanides)

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Polycrystalline samples of misfit-layered sulfides [Ln2S2] p NbS2 (Ln = lanthanides) have been prepared using the CS2 sulfidation method. Except for Ln = Eu and Lu, single-phase samples were prepared. The compounds consist of an alternate stacking of a trigonal prism-type [NbS2] layer and a double-layered NaCl [rock salt (RS)]-type [Ln2S2] block, parallel to the c-axis. Three types of stacking modes of the [NbS2] layer and the RS-type block have been confirmed with a (3 + 1)-dimensional superspace group description: two face-centered orthorhombic structures and one face-centered monoclinic structure. Slightly cation-deficient samples with Ln = Yb exhibit the highest Seebeck coefficient S ≈ 59 μV/K. With electrical resistivity of \(\rho = 1.4 \,\hbox{m}{\Upomega}\) cm and thermal conductivity of κ = 0.69 W/Km, this yields a dimensionless figure of merit of ZT = 0.11 at 300 K.

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Correspondence to Yuzuru Miyazaki.

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Miyazaki, Y., Ogawa, H., Nakajo, T. et al. Crystal Structure and Thermoelectric Properties of Misfit-Layered Sulfides [Ln2S2] p NbS2 (Ln = Lanthanides). J. Electron. Mater. 42, 1335–1339 (2013). https://doi.org/10.1007/s11664-012-2443-5

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  • DOI: https://doi.org/10.1007/s11664-012-2443-5

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