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Several approaches have been used to investigate the impact of Nitrogen (N)on the electronic structure of GaAs$_{1-x}$N$_{x}$ alloys, however, there is noagreement between theory and experiments about the importance of the differentN interstitial defects in these alloys, and their nature is still unknown. Herewe analyze the impact of five different N defects on the electronic structureof GaAs$_{1-x}$N$_{x}$ alloys, using density-functional methods: we calculateelectronic states, formation energies and charge transition levels. The studieddefects include N$_{As}$, As$_{Ga}$, As$_{Ga}$-N$_{As}$ substitutional defects,and (N-N)$_{As}$, (N-As)$_{As}$ split-interstitial complex defects. Ourcalculated defect formation energies agree with those reported by S.B. Zhang etal. [Phys. Rev. Lett. 86, 1789 (2001)], who predicted these defects. Among theinterstitial defects, we found that (N-As)$_{As}$ emerges as the lowest energyconfiguration in comparison with (N-N)$_{As}$, agreeing with recent experiments[T. Jen, et al., Appl. Phys. Lett. 107, 221904 (2015)]. We also calculated thelevels induced in the electronic structure due to each of these defects: defectstates may occur as deep levels in the gap, shallow levels close to the bandedges, and as levels between bulk states. We find that the largest changes inthe band structure are produced by an isolated N atom in GaAs, which isresonant with the conduction band, exhibiting a strong hybridization between Nand GaAs states. Deeper levels in the bandgap are obtained with (N-N)$_{As}$split-interstitial defects. Our results confirm the formation of highlylocalized states around the N sites, which is convenient for photovoltaics andphotoluminescence applications.

Effect of N interstitial complexes on the electronic properties of GaAs$_{1-x}$N$_{x}$ alloys from first principles