Vegard's law deviation in lattice constant and band gap bowing parameter of zincblende InxGa1-xN

Numerical simulation based on first-principles calculations is applied to study the structural characteristics and band-energy properties of the zincblende InxGa1-xN. The deviation parameter of the lattice constant is determined to be -0.004 Angstrom. A band gap bowing parameter of 1.890 +/- 0.097 eV is obtained with the equilibrium lattice constant and 1.857 +/- 0.093 eV is obtained with the lattice constant derived from Vegard's law. (C) 2004 Elsevier B.V. All rights reserved.