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 Å. 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.
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Atomic and Molecular Physics, and Optics
- Physical and Theoretical Chemistry
- Electrical and Electronic Engineering