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Crystal Structure and Thermoelectric Transport Properties of As-Doped Layered Pnictogen Oxyselenides NdO0.8F0.2Sb1-xAsxSe2.

ABSTRACT: We report the synthesis and thermoelectric transport properties of As-doped layered pnictogen oxyselenides NdO0.8F0.2Sb1-xAsxSe2 (x ? 0.6), which are predicted to show high-performance thermoelectric properties based on first-principles calculation. The crystal structure of these compounds belongs to the tetragonal P4/nmm space group (No. 129) at room temperature. The lattice parameter c decreases with increasing x, while a remains almost unchanged among the samples. Despite isovalent substitution of As for Sb, electrical resistivity significantly rises with increasing x. Very low thermal conductivity of less than 0.8 Wm-1K-1 is observed at temperatures between 300 and 673 K for all the examined samples. For As-doped samples, the thermal conductivity further decreases above 600 K. Temperature-dependent synchrotron X-ray diffraction indicates that an anomaly also occurs in the c-axis length at around 600 K, which may relate to the thermal transport properties.

SUBMITTER: Morino K 

PROVIDER: S-EPMC7254281 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature

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Crystal Structure and Thermoelectric Transport Properties of As-Doped Layered Pnictogen Oxyselenides NdO<sub>0.8</sub>F<sub>0.2</sub>Sb<sub>1-<i>x</i></sub>As<i><sub>x</sub></i>Se<sub>2</sub>.

Morino Kota K   Goto Yosuke Y   Miura Akira A   Moriyoshi Chikako C   Kuroiwa Yoshihiro Y   Mizuguchi Yoshikazu Y  

Materials (Basel, Switzerland) 20200507 9

We report the synthesis and thermoelectric transport properties of As-doped layered pnictogen oxyselenides NdO<sub>0.8</sub>F<sub>0.2</sub>Sb<sub>1-<i>x</i></sub>As<i><sub>x</sub></i>Se<sub>2</sub> (<i>x</i> ≤ 0.6), which are predicted to show high-performance thermoelectric properties based on first-principles calculation. The crystal structure of these compounds belongs to the tetragonal <i>P</i>4/<i>nmm</i> space group (No. 129) at room temperature. The lattice parameter <i>c</i> decreases wi  ...[more]

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