1. The electronic structure, optical property and n-type conductivity for W-doped α -Ga2O3: hybrid functional study.
- Author
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Chang, Jinyan, Kang, Sixin, Chen, Yu, and Fan, S W
- Subjects
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OPTICAL properties , *IONIZATION energy , *N-type semiconductors , *BAND gaps , *VISIBLE spectra - Abstract
Based on the hybrid functional method, the electronic structure, optical property and electron effective mass of α -Ga2O3, together with the properties for intrinsic and extrinsic defects incorporated into α -Ga2O3 are studied. Obtained results indicate the α -Ga2O3 possesses a wide band gap (5.31 eV), small electron effective mass (0.22 m0) and a high visible light transmittance. The nonstoichiometric α -Ga2O3 is not an excellent n-type semiconductor. To improve the n-type conductivity, the W-doped α -Ga2O3 is studied. We find that W Ga is a promising n-type defect due to its relatively small ionization energy ϵ (0/+) (0.30 eV). When the equilibrium fabrication method is selected, the WO2 is a promising dopant source. Using the equilibrium fabrication method, the defect complex (V O+ W Ga) would be formed, and the ionization energy ϵ (0/+) for defect complex (V O + W Ga) would decrease to 0.08 eV, which implies that a great number of free electrons could be induced in the samples. We expect that this work can promote the understanding of the n-type conductivity for α -Ga2O3 and provide significant insights for the development of a transparent n-type semiconductor. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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