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Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb(2)Te(3) thermoelectric materials
The data presented in this article relate to the research article entitled “Superior room-temperature power factor in GeTe systems via multiple valence band convergence to a narrow energy range” [T. Oku et al., Mater. Today Phys. 20 (2021) 100484 (10.1016/j.mtphys.2021.100484)]. Polycrystalline (GeT...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8526956/ https://www.ncbi.nlm.nih.gov/pubmed/34703854 http://dx.doi.org/10.1016/j.dib.2021.107462 |
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author | Oku, Tomohiro Funashima, Hiroki Kawaguchi, Shogo Kubota, Yoshiki Kosuga, Atsuko |
author_facet | Oku, Tomohiro Funashima, Hiroki Kawaguchi, Shogo Kubota, Yoshiki Kosuga, Atsuko |
author_sort | Oku, Tomohiro |
collection | PubMed |
description | The data presented in this article relate to the research article entitled “Superior room-temperature power factor in GeTe systems via multiple valence band convergence to a narrow energy range” [T. Oku et al., Mater. Today Phys. 20 (2021) 100484 (10.1016/j.mtphys.2021.100484)]. Polycrystalline (GeTe)(n)Sb(2)Te(3) (n = 10, 12, 16, 20, and 24) bulk samples were prepared by melting and annealing. The Ge defect concentration of each composition was estimated from Rietveld refinement of the synchrotron X-ray powder diffraction patterns. Electrical properties, such as the electrical resistivity and Seebeck coefficient, were measured from three specimens of each composition to confirm reproducibility. Electronic-band-structure parameters and electronic density-of-states of each composition were obtained by first-principles calculations. |
format | Online Article Text |
id | pubmed-8526956 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Elsevier |
record_format | MEDLINE/PubMed |
spelling | pubmed-85269562021-10-25 Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb(2)Te(3) thermoelectric materials Oku, Tomohiro Funashima, Hiroki Kawaguchi, Shogo Kubota, Yoshiki Kosuga, Atsuko Data Brief Data Article The data presented in this article relate to the research article entitled “Superior room-temperature power factor in GeTe systems via multiple valence band convergence to a narrow energy range” [T. Oku et al., Mater. Today Phys. 20 (2021) 100484 (10.1016/j.mtphys.2021.100484)]. Polycrystalline (GeTe)(n)Sb(2)Te(3) (n = 10, 12, 16, 20, and 24) bulk samples were prepared by melting and annealing. The Ge defect concentration of each composition was estimated from Rietveld refinement of the synchrotron X-ray powder diffraction patterns. Electrical properties, such as the electrical resistivity and Seebeck coefficient, were measured from three specimens of each composition to confirm reproducibility. Electronic-band-structure parameters and electronic density-of-states of each composition were obtained by first-principles calculations. Elsevier 2021-10-09 /pmc/articles/PMC8526956/ /pubmed/34703854 http://dx.doi.org/10.1016/j.dib.2021.107462 Text en © 2021 The Author(s). Published by Elsevier Inc. https://creativecommons.org/licenses/by/4.0/This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Data Article Oku, Tomohiro Funashima, Hiroki Kawaguchi, Shogo Kubota, Yoshiki Kosuga, Atsuko Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb(2)Te(3) thermoelectric materials |
title | Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb(2)Te(3) thermoelectric materials |
title_full | Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb(2)Te(3) thermoelectric materials |
title_fullStr | Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb(2)Te(3) thermoelectric materials |
title_full_unstemmed | Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb(2)Te(3) thermoelectric materials |
title_short | Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb(2)Te(3) thermoelectric materials |
title_sort | dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of gete-rich gete-sb(2)te(3) thermoelectric materials |
topic | Data Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8526956/ https://www.ncbi.nlm.nih.gov/pubmed/34703854 http://dx.doi.org/10.1016/j.dib.2021.107462 |
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