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Fig. 7. (Color online) The electronic band gap of AlxGa1-xN alloys.
The atomic structure was optimized by using PBE, and the band gap was calculated by using PBE and HSE06 exchange-correlation functionals. The percentage in the parentheses represents the fraction of the Hartree-Fock. The dashed lines represent the linearly interpolated band gap.
New Phys.: Sae Mulli 2022;72:481~486