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>

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>

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&...

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Main Authors: Kota Morino, Yosuke Goto, Akira Miura, Chikako Moriyoshi, Yoshihiro Kuroiwa, Yoshikazu Mizuguchi
Format: Article
Language:English
Published: MDPI AG 2020-05-01
Series:Materials
Subjects:
thermoelectric materials
mixed-anion compounds
crystal structure analysis
transport properties
Online Access:https://www.mdpi.com/1996-1944/13/9/2164
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spelling doaj-643e01fe09d64c58aee0b5a7e122c80a2020-11-25T02:08:02ZengMDPI AGMaterials1996-19442020-05-01132164216410.3390/ma13092164Crystal 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>Kota Morino0Yosuke Goto1Akira Miura2Chikako Moriyoshi3Yoshihiro Kuroiwa4Yoshikazu Mizuguchi5Department of Physics, Tokyo Metropolitan University, 1-1 Minami-osawa, Hachioji, Tokyo 192-0397, JapanDepartment of Physics, Tokyo Metropolitan University, 1-1 Minami-osawa, Hachioji, Tokyo 192-0397, JapanFaculty of Engineering, Hokkaido University, Kita 13, Nishi 8, Sapporo 060-8628, JapanDepartment of Physical Science, Hiroshima University, 1-3-1 Kagamiyama, Higashihiroshima, Hiroshima 739-8526, JapanDepartment of Physical Science, Hiroshima University, 1-3-1 Kagamiyama, Higashihiroshima, Hiroshima 739-8526, JapanDepartment of Physics, Tokyo Metropolitan University, 1-1 Minami-osawa, Hachioji, Tokyo 192-0397, JapanWe 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 with increasing <i>x</i>, while <i>a</i> remains almost unchanged among the samples. Despite isovalent substitution of As for Sb, electrical resistivity significantly rises with increasing <i>x</i>. Very low thermal conductivity of less than 0.8 Wm<sup>−1</sup>K<sup>−1</sup> 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 <i>c</i>-axis length at around 600 K, which may relate to the thermal transport properties.https://www.mdpi.com/1996-1944/13/9/2164thermoelectric materialsmixed-anion compoundscrystal structure analysistransport properties
collection DOAJ
language English
format Article
sources DOAJ
author Kota Morino
Yosuke Goto
Akira Miura
Chikako Moriyoshi
Yoshihiro Kuroiwa
Yoshikazu Mizuguchi
spellingShingle Kota Morino
Yosuke Goto
Akira Miura
Chikako Moriyoshi
Yoshihiro Kuroiwa
Yoshikazu Mizuguchi
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>
Materials
thermoelectric materials
mixed-anion compounds
crystal structure analysis
transport properties
author_facet Kota Morino
Yosuke Goto
Akira Miura
Chikako Moriyoshi
Yoshihiro Kuroiwa
Yoshikazu Mizuguchi
author_sort Kota Morino
title 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>
title_short 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>
title_full 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>
title_fullStr 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>
title_full_unstemmed 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>
title_sort 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>
publisher MDPI AG
series Materials
issn 1996-1944
publishDate 2020-05-01
description 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 with increasing <i>x</i>, while <i>a</i> remains almost unchanged among the samples. Despite isovalent substitution of As for Sb, electrical resistivity significantly rises with increasing <i>x</i>. Very low thermal conductivity of less than 0.8 Wm<sup>−1</sup>K<sup>−1</sup> 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 <i>c</i>-axis length at around 600 K, which may relate to the thermal transport properties.
topic thermoelectric materials
mixed-anion compounds
crystal structure analysis
transport properties
url https://www.mdpi.com/1996-1944/13/9/2164
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