Semi-empirical PM3 cluster calculations were used to show that stable, electrically active, NO complexes could exist. The retardation of thermal double-donor formation in the presence of N could be explained on the basis of their relative stability with respect to O and N pairs. However, an equilibrium concentration which was much lower than that of NN pairs was predicted. It was also shown that the interaction of NO with a single N atom created a bistable NNO defect, whereas an encounter with an O atom or an NN pair preserved the electrical activity of the NO center.

A.Gali, J.Miro, P.Deák, C.P.Ewels, R.Jones: Journal of Physics - Condensed Matter, 1996, 8[41], 7711-22