Model for the formation energy of In–N clusters and their effect on the energy band gap of the Ga-rich and As-rich InxGa1−xNyAs1−y semiconductor alloys

Abstract

A model for the formation energy of In–N clusters in InxGa1−xNyAs1−y alloys is developed. It is found that when the number of In atoms bonded to one N atom reaches 2.7, the lattice constant in the neighborhood of N atoms matches that of GaAs and the local strain decreases to the minimum. The relationship among the spectral blueshift, the formation energy of one In–N bond, the average number of nearest-neighbor In atoms per N atom, and the nitrogen level is also discussed. It is helpful to further investigate the relationship between the spectral blueshift and the annealing parameters.