First-principles calculations were made of N doping, and it was found that the experimentally observed trend in doping efficiency could be attributed to the higher solubility of N in ZnTe. The potential formation of complexes between the N acceptor and native defects was considered with regard to changes in the lattice constant of ZnSe due to heavy N doping, and to difficulties which were associated with N as an acceptor dopant.

C.G.Van de Walle, D.B.Laks: Solid State Communications, 1995, 93[5], 447-50