We report on an ab initio study of the structural and electronic properties of B and P doped Si nanocrystals (Si-nc). The formation energies (FE) scale with the radius, the activation energies with the inverse radius. The effects of B and P co-doping show that the FE are always smaller than that for the corresponding single-doped cases and that is possible to engineer the photoluminescence properties of Si-nc.
P and B single- and co-doped silicon nanocrystals: Formation and activation energies, electronic and optical properties / Ossicini, S.; Iori, F.; Degoli, E.; Luppi, E.; Magri, R.; Cantele, G.; Trani, F.; Ninno, D.. - 2005:(2005), pp. 60-62. ((Intervento presentato al convegno 2005 IEEE International Conference on Group IV Photonics tenutosi a Antwerp, bel nel 2005 [10.1109/GROUP4.2005.1516403].