The aim of this work is to investigate the structural, electronic and optical properties of hydrogenated Si nanoclusters (H-Si-nc) in their ground and excited state configurations. Structural relaxations have been fully taken into account in all cases through total energy pseudopotential calculations. Recent results about ab-initio calculations of Stokes shift as a function of the cluster dimension and of optical gain will be presented here. A structural model that can be linked to the four level scheme recently invoked to explain the experimental outcomes relative to the observed optical gain in Si-nc embedded in a SiO2 matrix will be suggested too.
Electronic and optical properties of silicon nanocrystals: structural effects / Degoli, Elena; Ossicini, Stefano; M., Luppi; E., Luppi; Magri, Rita; G., Cantele; D., Ninno; N., Iadonisi. - In: MATERIALS RESEARCH SOCIETY SYMPOSIA PROCEEDINGS. - ISSN 0272-9172. - STAMPA. - 770:(2003), pp. I.9.1-I.9.6.
Electronic and optical properties of silicon nanocrystals: structural effects
DEGOLI, Elena;OSSICINI, Stefano;MAGRI, Rita;
2003-01-01
Abstract
The aim of this work is to investigate the structural, electronic and optical properties of hydrogenated Si nanoclusters (H-Si-nc) in their ground and excited state configurations. Structural relaxations have been fully taken into account in all cases through total energy pseudopotential calculations. Recent results about ab-initio calculations of Stokes shift as a function of the cluster dimension and of optical gain will be presented here. A structural model that can be linked to the four level scheme recently invoked to explain the experimental outcomes relative to the observed optical gain in Si-nc embedded in a SiO2 matrix will be suggested too.
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