A theoretical formalism was developed in order to determine the concentrations of native defects and impurities in semiconductors. It was applied here to the problem of p-type doping in ZnSe. It was concluded that limitations on the achievable hole concentrations were not due to native defect compensation. Instead, 2 mechanisms were thought to be responsible. One was a competition between various substitutional and interstitial configurations, and the other was a solubility limit which was imposed by the formation of other phases.

C.G.Van de Walle, D.B.Laks, G.F.Neumark, S.T.Pantelides: Journal of Crystal Growth, 1992, 117, 704-9