Electronic and optical properties of wurtzite GaN: A theoretical approach
Yang Zhong-qin; Xu Zhi-zhong; Yang Zhong-qin; State Key Laboratory of Applied Surface Physics; T. D. Lee Physics Laboratory, Fudan University, Shanghai 200433, China; Xu Zhi-zhong; State Key Laboratory of Applied Surface Physics; T. D. Lee Physics Laboratory, Fudan University, Shanghai 200433, China
Журнал:
Acta Physica Sinica (Overseas Edition)
Дата:
1997-08-01
Аннотация:
The band structures of wurtzite GaN (α-GaN) are studied using the nearest and second-nearest neighbour semi-empirical tight-binding method in sp<sup>3</sup>s* model. The calculated direct fundamental gap of α-GaN is 3.45 eV, which is in good agreement with the experimental data. The density of states and the imaginary part of dielectric function (ϵ<sub>2</sub> (ω)) are evaluated to be in the regions - 10.0 -12 eV and 0.0 - 10.0 eV, respectively. There are mainly three peaks at 6.4, 7.5, 8.4 eV, dominating the ϵ<sub>2</sub> (ω) spectrum. The two components of the ϵ<sub>2</sub> (ω) (i.e. ϵ<sub>2xy</sub> (ω)) and ϵ<sub>2x</sub> (ω)) are also calculated; and the real part of dielectric function, reflectivity, absorption coefficient, and refractive index are all studied.
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