| Cite this article as: Deng Nan-Fa,Zhou Xian-Zhong. First-principles calculation of the thermoelectric performance of β-Ga2O3 [J]. J. At. Mol. Phys.(原子与分子物理学报), 2025, 42: 016008 (in Chinese) |
| First-principles calculation of the thermoelectric performance of β-Ga2O3 |
| Hits 253 Download times 67 Received:May 03, 2023 Revised:May 18, 2023 |
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| DOI
10.19855/j.1000-0364.2025.016008 |
| Key Words
Ga2O3, First-principles calculation, Boltzmann transport theory, Thermoelectric properties |
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| Abstract
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| The electrical, thermal, and thermoelectric properties of β-Ga2O3 were calculated using first-principles calculation methods and Boltzmann transport theory, and the variation of the thermoelectric performance factor with carrier concentration and temperature was determined. The influence of phonon scattering and polar optical phonon scattering on the average electron relaxation time was also considered, and the calculated results of the Seebeck coefficient, electrical conductivity, thermal conductivity, and figure of merit of β-Ga2O3 at different carrier concentrations and temperatures were described in detail. Finally, the trend of the thermoelectric performance factor of β-Ga2O3 with carrier concentration and temperature was presented. The results showed that β-Ga2O3 exhibits a high thermoelectric performance factor at high carrier concentration and high temperature. |
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