Fig. 1.
(Color online) Crystal structures of F-doped $\beta$-Ga$_{2}$O$_{3}$. (a) Intrinsic $\beta$-Ga$_{2}$O$_{3}$,(b) F-doped $\beta$-Ga$_{2}$O$_{3}$. The atoms of Ga,O,and F are colored in brown,red and blue,respectively.
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| Citation: |
Jinliang Yan, Chong Qu. Electronic structure and optical properties of F-doped β-Ga2O3 from first principles calculations[J]. Journal of Semiconductors, 2016, 37(4): 042002. doi: 10.1088/1674-4926/37/4/042002
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J L Yan, C Qu. Electronic structure and optical properties of F-doped β-Ga2O3 from first principles calculations[J]. J. Semicond., 2016, 37(4): 042002. doi: 10.1088/1674-4926/37/4/042002.
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Electronic structure and optical properties of F-doped β-Ga2O3 from first principles calculations
DOI: 10.1088/1674-4926/37/4/042002
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Abstract
The effects of F-doping concentration on geometric structure, electronic structure and optical property of β-Ga2O3 were investigated. All F-doped β-Ga2O3 with different concentrations are easy to be formed under Ga-rich conditions, the stability and lattice parameters increase with the F-doping concentration. F-doped β-Ga2O3 materials display characteristics of the n-type semiconductor, occupied states contributed from Ga 4s, Ga 4p and O 2p states in the conduction band increase with an increase in F-doping concentration. The increase of F concentration leads to the narrowing of the band gap and the broadening of the occupied states. F-doped β-Ga2O3 exhibits the sharp band edge absorption and a broad absorption band. Absorption edges are blue-shifted, and the intensity of broad band absorption has been enhanced with respect to the fluorine content. The broad band absorption is ascribed to the intra-band transitions from occupied states to empty states in the conduction band.-
Keywords:
- semiconductor,
- electronic structure,
- optical property,
- F-doped β-Ga2O3
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References
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