| Cite this article as: Li Jia-Hong,Hao Zeng-Rui,Xue Rui-Xin,Kan Hong-Mei,Guan Yu-Qin. First principles study on the effect of Si doping on the optoelectronic properties of Ga2O3/BP heterojunctions [J]. J. At. Mol. Phys.(原子与分子物理学报), 2025, 42: 046002 (in Chinese) |
| First principles study on the effect of Si doping on the optoelectronic properties of Ga2O3/BP heterojunctions |
| Hits 316 Download times 35 Received:September 27, 2023 Revised:October 13, 2023 |
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| DOI
10.19855/j.1000-0364.2025.046002 |
| Key Words
β-Ga2O3/BP heterojunction defect photoelectric properties first principles |
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| Abstract
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| In recent years, gallium oxide（Ga2O3）is a new generation of ultra wide bandgap (4.9 eV) semiconductor, which has attracted widespread attention in the fields of solar blind ultraviolet detectors and transparent optoelectronic devices due to its superior thermal and chemical stability, high breakdown field strength, and visible light transmittance. However, there is a phenomenon of low mobility in Ga2O3 based optoelectronic devices, which limits their application. However, constructing suitable Ga2O3 heterojunctions is one of the effective means to improve the photoelectric performance of photodetectors. A β-Ga2O3/BP heterojunction model was constructed based on first principles, and the regulation of its photoelectric properties and related mechanisms by oxygen vacancy (Vo) and Si doping were studied. The results show that the β-Ga2O3/BP heterojunction structure effectively reduces the β-Ga2O3 work function and increases sensitivity, Si doping reduces binding energy and enhances stability. The β-Ga2O3/BP heterojunction effectively reduces the bandgap, while Si doping and oxygen vacancies further reduce its bandgap and enhance its photoconductivity. And Si doping causes anisotropy in photoconductivity. This result provides a theoretical reference for improving the photoelectric performance of Ga2O3 based heterojunctions. |
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