Band structure nonlocal pseudopotential calculation of the III-nitride wurtzite phase materials system. Part II. Ternary alloys AlxGa1-xN, InxGa1-xN,and InxAl1-xN

This work presents detailed information on the band structures of the III-n itride wurtzite ternary alloys, computed through the virtual crystal approx imation approach. The key ingredient of this study is the set of realistic atomic effective potentials described in Part I of the present work, dedica ted to the constituent binary compounds. The model relies on the linear int erpolation of the structural parameters and of the local and nonlocal effec tive potentials: no further empirical corrections are included. The depende nce on the mole fraction is computed for the energy gaps at all the high-sy mmetry points, the valence-band width, and the electron effective masses in the valleys relevant for carrier-transport simulation. (C) 2000 American I nstitute of Physics. [S0021-8979(00)08520-0].