Academic Journal
Engineering Thermoelectric Performance of α‐GeTe by Ferroelectric Distortion
| العنوان: | Engineering Thermoelectric Performance of α‐GeTe by Ferroelectric Distortion |
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| المؤلفون: | Fan, Yuting, Xie, Chenghao, Li, Jun, Meng, Xiangyu, Sun, Jinchang, Wu, Jinsong, Tang, Xinfeng, Tan, Gangjian |
| المساهمون: | National Key Research and Development Program of China, National Natural Science Foundation of China |
| المصدر: | ENERGY & ENVIRONMENTAL MATERIALS ; volume 7, issue 2 ; ISSN 2575-0356 2575-0356 |
| بيانات النشر: | Wiley |
| سنة النشر: | 2023 |
| المجموعة: | Wiley Online Library (Open Access Articles via Crossref) |
| الوصف: | The rhombohedral α ‐GeTe can be approximated as a slightly distorted rock‐salt structure along its [1 1 1] direction and possesses superb thermoelectric performance. However, the role of such a ferroelectric‐like structural distortion on its transport properties remains unclear. Herein, we performed a systematic study on the crystal structure and electronic band structure evolutions of Ge 1‐x Sn x Te alloys where the degree of ferroelectric distortion is continuously tuned. It is revealed that the band gap is maximized while multiple valence bands are converged at x = 0.6, where the ferroelectric distortion is the least but still works. Once undistorted, the band gap is considerably reduced, and the valence bands are largely separated again. Moreover, near the ferro‐to‐paraelectric phase transition Curie temperature, the lattice thermal conductivity reaches its minima because of significant lattice softening enabled by ferroelectric instability. We predict a peak ZT value of 2.6 at 673 K in α ‐GeTe by use of proper dopants which are powerful in suppressing the excess hole concentrations but meanwhile exert little influence on the ferroelectric distortion. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| DOI: | 10.1002/eem2.12535 |
| الاتاحة: | http://dx.doi.org/10.1002/eem2.12535 https://onlinelibrary.wiley.com/doi/pdf/10.1002/eem2.12535 https://onlinelibrary.wiley.com/doi/full-xml/10.1002/eem2.12535 |
| Rights: | http://creativecommons.org/licenses/by/4.0/ |
| رقم الانضمام: | edsbas.61269673 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1002/eem2.12535 |
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