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The nitrogen-vacancy (NV) center occurs in GaAs bulk crystals doped orimplanted with nitrogen. The local vibration of nitrogen gives rise to a sharpinfrared absorption band at 638 cm$^{-1}$, exhibiting a fine structure due tothe different masses of neighboring $^{69}$Ga and $^{71}$Ga host isotopes.Piezospectroscopic investigations in the crystallographic <100> direction provethat the center has C$_\text{3v}$ point symmetry, which is weakly perturbed bythe isotope effect. The stress-induced shifts of some band components show anunusual non-linear behavior that can be explained by coupling between theisotope and the stress splitting. First-principles density-functional theorycalculations are in full accordance with the experiments and confirm theC$_\text{3v}$ symmetry, caused by relaxation of the nitrogen atom from theanion lattice site towards the nearest-neighbor Ga plane. The NV center in GaAsis structurally analogous to the same center in diamond. The $-3$ charge stateis most stable for nearly all Fermi-level positions.

Piezospectroscopy and first-principles calculations of the nitrogen-vacancy center in gallium arsenide