Ab initio calculations of H complexes with Mg and Be impurities in c-BN were reported. It was found that both impurities were acceptors, and bound H to form passive defects. However, their structures were different. In Be-H, the H atom lay at a puckered bond center configuration; similar to C-H in GaAs. In Mg–H, the H atom lay in an anti-bonding site to a N neighbour of the impurity.

Mg–H and Be–H Complexes in c-BN. N.M.C.Pinho, V.B.Torres, R.Jones, S.Öberg, P.R.Briddon: Physica B, 2001, 308-310, 1027-30