First-principles estimates were made of the doping efficiency and diffusion mechanism of C. The C acceptor which occupied an As site was found to be the most stable, and was responsible for a high doping efficiency. However, the hole concentration saturated at about 1020/cm3, due to compensation by donors such as [100] split interstitial (CC)[100] complexes. A mechanism was proposed, for C diffusion that was accompanied by the formation and dissociation of the (CC)[100] complex, in which the activation energy was lower than that for atom diffusion.

B.H.Cheong, K.J.Chang: Physical Review B, 1994, 49[24], 17436-9