Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe
GeMnTe2 adopts a cubic rock salt structure and is a promising mid-temperature thermoelectric material. The pair distribution function analysis of neutron total scattering data, however, indicates that GeMnTe2 is locally distorted from the ideal rock salt structure with Ge2+ cations being discordant...
| Main Authors: | , , , , , , , , , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2023
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/166324 |
| _version_ | 1826128148178141184 |
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| author | Dong, Jinfeng Jiang, Yilin Sun, Yandong Liu, Jue Pei, Jun Li, Wei Tan, Xian Yi Hu, Lei Jia, Ning Xu, Ben Li, Qian Li, Jingfeng Yan, Qingyu Kanatzidis, Mercouri G. |
| author2 | School of Materials Science and Engineering |
| author_facet | School of Materials Science and Engineering Dong, Jinfeng Jiang, Yilin Sun, Yandong Liu, Jue Pei, Jun Li, Wei Tan, Xian Yi Hu, Lei Jia, Ning Xu, Ben Li, Qian Li, Jingfeng Yan, Qingyu Kanatzidis, Mercouri G. |
| author_sort | Dong, Jinfeng |
| collection | NTU |
| description | GeMnTe2 adopts a cubic rock salt structure and is a promising mid-temperature thermoelectric material. The pair distribution function analysis of neutron total scattering data, however, indicates that GeMnTe2 is locally distorted from the ideal rock salt structure with Ge2+ cations being discordant and displaced ∼0.3 Å off the octahedron center. By alloying GeMnTe2 with SbTe, the carrier concentration can be tuned in GeMnTe2-x%SbTe (x = 15.1), leading to converged multiple broad valence bands and a high Seebeck coefficient of >200 μV K−1 from 300 to 823 K. The system exhibits a large density-of-state effective mass of >10 me and a high weighted mobility of 80 cm2 V−1 s−1, leading to a power factor of 15 μWcm−1 K−2 at 823 K. The composition GeMnTe2-15.1%SbTe exhibits very low lattice thermal conductivity of ∼0.5 Wm−1 K−1 at 823 K, attributed to the combination of oX-centering cations in the rock salt structure, Ge/Mn positional disorder, dislocations, and abundant Ge-rich and Mn-rich nanoparticles. A ZT value of ∼1.5 can be achieved for GeMnTe2-15.1%SbTe with a ZTave of 0.96 in the temperature range of 400−823 K. |
| first_indexed | 2024-10-01T07:20:11Z |
| format | Journal Article |
| id | ntu-10356/166324 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T07:20:11Z |
| publishDate | 2023 |
| record_format | dspace |
| spelling | ntu-10356/1663242023-07-14T15:47:25Z Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe Dong, Jinfeng Jiang, Yilin Sun, Yandong Liu, Jue Pei, Jun Li, Wei Tan, Xian Yi Hu, Lei Jia, Ning Xu, Ben Li, Qian Li, Jingfeng Yan, Qingyu Kanatzidis, Mercouri G. School of Materials Science and Engineering Engineering::Materials::Energy materials Carrier Concentration Distribution Functions GeMnTe2 adopts a cubic rock salt structure and is a promising mid-temperature thermoelectric material. The pair distribution function analysis of neutron total scattering data, however, indicates that GeMnTe2 is locally distorted from the ideal rock salt structure with Ge2+ cations being discordant and displaced ∼0.3 Å off the octahedron center. By alloying GeMnTe2 with SbTe, the carrier concentration can be tuned in GeMnTe2-x%SbTe (x = 15.1), leading to converged multiple broad valence bands and a high Seebeck coefficient of >200 μV K−1 from 300 to 823 K. The system exhibits a large density-of-state effective mass of >10 me and a high weighted mobility of 80 cm2 V−1 s−1, leading to a power factor of 15 μWcm−1 K−2 at 823 K. The composition GeMnTe2-15.1%SbTe exhibits very low lattice thermal conductivity of ∼0.5 Wm−1 K−1 at 823 K, attributed to the combination of oX-centering cations in the rock salt structure, Ge/Mn positional disorder, dislocations, and abundant Ge-rich and Mn-rich nanoparticles. A ZT value of ∼1.5 can be achieved for GeMnTe2-15.1%SbTe with a ZTave of 0.96 in the temperature range of 400−823 K. Agency for Science, Technology and Research (A*STAR) Ministry of Education (MOE) Submitted/Accepted version Yan Qingyu acknowledges MOE ACRF Tier 1 RG128/21 and Singapore A*STAR project A19D9a0096. 2023-04-21T06:24:47Z 2023-04-21T06:24:47Z 2023 Journal Article Dong, J., Jiang, Y., Sun, Y., Liu, J., Pei, J., Li, W., Tan, X. Y., Hu, L., Jia, N., Xu, B., Li, Q., Li, J., Yan, Q. & Kanatzidis, M. G. (2023). Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe. Journal of the American Chemical Society, 145(3), 1988-1996. https://dx.doi.org/10.1021/jacs.2c12877 1520-5126 https://hdl.handle.net/10356/166324 10.1021/jacs.2c12877 3 145 1988 1996 en RG128/21 A19D9a0096 Journal of the American Chemical Society This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of the American Chemical Society, copyright © 2023 American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/jacs.2c12877. application/pdf |
| spellingShingle | Engineering::Materials::Energy materials Carrier Concentration Distribution Functions Dong, Jinfeng Jiang, Yilin Sun, Yandong Liu, Jue Pei, Jun Li, Wei Tan, Xian Yi Hu, Lei Jia, Ning Xu, Ben Li, Qian Li, Jingfeng Yan, Qingyu Kanatzidis, Mercouri G. Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe |
| title | Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe |
| title_full | Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe |
| title_fullStr | Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe |
| title_full_unstemmed | Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe |
| title_short | Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe |
| title_sort | discordant distortion in cubic gemnte₂ and high thermoelectric properties of gemnte₂ x sbte |
| topic | Engineering::Materials::Energy materials Carrier Concentration Distribution Functions |
| url | https://hdl.handle.net/10356/166324 |
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