TY - JOUR
KW - MBPT
AU - Olivia Pulci
AU - Elena Degoli
AU - Federico Iori
AU - Margherita Marsili
AU - Maurizia Palummo
AU - Rodolfo Del Sole
AU - Stefano Ossicini
AB - First-principles calculations within density functional theory and many-body perturbation theory have been carried out in order to investigate the structural, electronic and optical properties of undoped and doped silicon nanostructures. We consider Si nanoclusters co-doped with B and P. We find that the electronic band gap is reduced with respect to that of the undoped crystals, suggesting the possibility of impurity based engineering of electronic and optical properties of Si nanocrystals. Finally, motivated by recent suggestions concerning the chance of exploiting Ge dots for photovoltaic nanodevices, we present calculations of the electronic and optical properties of a Ge35H36 nanocrystal, and compare the results with those for the corresponding Si35H36 nanocrystals and the co-doped Si33BPH36.
BT - Superlattices and Microstructures
DO - DOI: 10.1016/j.spmi.2009.07.004
M1 - 1
N1 - Proceedings of the 9th International Conference on Physics of Light-Matter Coupling in Nanostructures, PLMCN 2009 (Lecce - Italy)
N2 - First-principles calculations within density functional theory and many-body perturbation theory have been carried out in order to investigate the structural, electronic and optical properties of undoped and doped silicon nanostructures. We consider Si nanoclusters co-doped with B and P. We find that the electronic band gap is reduced with respect to that of the undoped crystals, suggesting the possibility of impurity based engineering of electronic and optical properties of Si nanocrystals. Finally, motivated by recent suggestions concerning the chance of exploiting Ge dots for photovoltaic nanodevices, we present calculations of the electronic and optical properties of a Ge35H36 nanocrystal, and compare the results with those for the corresponding Si35H36 nanocrystals and the co-doped Si33BPH36.
PY - 2010
SP - 178
EP - 181
T2 - Superlattices and Microstructures
TI - Electronic and optical properties of Si and Ge nanocrystals: An ab initio study
UR - http://www.sciencedirect.com/science/article/B6WXB-4WSR0PT-2/2/4c35976f6fefbd70026cff2c92714f75
VL - 47
SN - 0749-6036
ER -