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ZUDE JIN1,2,* , XIAOHUA YU1,2
AlxInyGa1-x-yN possesses the merits of both the large bandgap of AlxGa1-xN and the high emission efficiency insensitivity to dislocations of InxGa1-xN material. In this manuscript, the first-principles calculation method was employed to investigate the influence of small In component on the photoelectric emission properties of the AlxGa1-xN. The results indicated that the In component reduced the stability of the material. After the addition of In atoms, the valence band levels hardly changed, while the conduction band levels droped overall, and the bandgap was decreased. The In component increased the ionicity of the material. The In component leaded to a shift of the absorption curve towards the long-wavelength end. The In component had a relatively small effect on the optical properties in the short-wavelength band, and its influence became increasingly significant as the wavelength increased. The calculation results had theoretical guiding significance for the application of AlxInyGa1-x-yN in the field of photoelectric emission.
Alx InyGa1-x-yN, First-principles, Electronic structure, Optical properties.
ZUDE JIN, XIAOHUA YU, Influence of small In component on the electronic structure and optical properties of AlxGa1-xN: A first-principles research, Optoelectronics and Advanced Materials - Rapid Communications, 19, 5-6, May-June 2025, pp.275-281 (2025).
Submitted at: Nov. 6, 2024
Accepted at: June 3, 2025
Optoelectronics and Advanced Materials - Rapid Communications
(2023): 0.5 - 2023 Journal Citation Reports (Clarivate Analytics, 2024)
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