The structural, optical and electronic properties of silicon nanocrystals are investigated as a function of the dimension as well as the surface passivation. Both the ground- and an excited-state configuration are studied using ab-initio calculations. Atom relaxation under excitation is taken into account and related with the experimentally observed Stokes shift.
Ab-initio calculations of the electronic properties of silicon nanocrystals: Absorption, emission, stokes shift
Cantele G;
2005
Abstract
The structural, optical and electronic properties of silicon nanocrystals are investigated as a function of the dimension as well as the surface passivation. Both the ground- and an excited-state configuration are studied using ab-initio calculations. Atom relaxation under excitation is taken into account and related with the experimentally observed Stokes shift.File in questo prodotto:
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