3 March 2006 Investigation of band gaps and bowing parameters for zincblende III-nitride ternary alloys
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Abstract
The zincblende InxGa1-xN, AlxGa1-xN, and AlxIn1-xN alloys are studied by numerical analysis based on first-principles calculations. The results show that the lattice constant of the three alloys obeys the Vegard's law. For InxGa1-xN the direct band gap bowing parameter obtained with the equilibrium lattice constant is 1.890 ± 0.097 eV. For AlxGa1-xN the direct and indirect bowing parameters of 0.574 ± 0.034 eV and 0.055 ± 0.038 eV are obtained, and there is a direct-indirect crossover near x = 0.56. For AlxIn1-xN the direct and indirect bowing parameters of 3.5694 ± 0.028 eV and 0.1953 ± 0.054 eV are obtained, and there is a direct-indirect crossover near x = 0.807
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Bo-Ting Liou, Sheng-Horng Yen, Yen-Kuang Kuo, "Investigation of band gaps and bowing parameters for zincblende III-nitride ternary alloys", Proc. SPIE 6121, Gallium Nitride Materials and Devices, 61210M (3 March 2006); doi: 10.1117/12.644464; https://doi.org/10.1117/12.644464
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