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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| author | Kota Morino Yosuke Goto Akira Miura Chikako Moriyoshi Yoshihiro Kuroiwa Yoshikazu Mizuguchi |
| author_facet | Kota Morino Yosuke Goto Akira Miura Chikako Moriyoshi Yoshihiro Kuroiwa Yoshikazu Mizuguchi |
| author_sort | Kota Morino |
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| 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. |
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| issn | 1996-1944 |
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| last_indexed | 2024-03-10T19:59:21Z |
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| spelling | doaj.art-643e01fe09d64c58aee0b5a7e122c80a2023-11-19T23:43:55ZengMDPI AGMaterials1996-19442020-05-01139216410.3390/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 |
| 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 |
| 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_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_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_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 |
| 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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