Role of in in Hydrogenation of N-Related Complexes in GaInNAs

The N-related isoelectronic centers in dilute nitrides act as localized states inside the band gap. Here, hydrogenation is shown to reduce the number of defect levels. However, some residual defects persist, and their nature remains relatively unexplored. Using density functional total energy calculations, we show that the N-In complex may cause some of the residual defect levels evident in these materials. Moreover, these N-In effects can be neutralized through hydrogenation in a similar manner to that of the N-Ga complex. The calculated formation energies suggest the inherent stability of the N-In defect complexes and In-rich alloy fluctuations in dilute nitrides.