Band-Gap Bowing Parameter of the Al_xIn_<1-x>N Derived from Theoretical Simulation

概要

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The band-gap energy and band-gap bowing parameter of the wurtzite Al_xIn_<1-x>N alloys are investigated numerically with the CASTEP simulation program. The simulation results suggest that the unstrained band-gap bowing parameter of the wurtzite AlInN alloys is b = 3.326 ± 0.072 eV. The simulation results also show that the width of the Al_xIn_<1-x>N top valence band at the F point has a maximum value of about 6.57eV when the aluminum composition is near 0.53. A summary of the band-gap energies, the width of the top valence band at the F point, and the band-gap energy versus lattice constant relationship of the ternary In_xGa_<1-x>N alloys, Al_xIn_<1-x>N alloys, and Aijn1 5N alloys is also provided.
社団法人応用物理学会の論文
2002-09-15