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 and stokes shift / E. Degoli, G. Cantele, E. Luppi, R. Magri, S. Ossicini, D. Ninno, O. Bisi, G. Onida, M. Gatti, A. Incze, O. Pulci, R. Del Sole - In: Physics of semiconductors : 27. international conference on the physics of semiconductors : ICPS-27, Flagstaff, Arizona, 26-30 July 2004 / [a cura di] J. Menendez, C.G. van de Walle. - Melville : American Institute of Physics, 2005. - ISBN 0-7354-0257-4. - pp. 859-860 (( Intervento presentato al 27. convegno International conference on the physics of semiconductors tenutosi a Flagstaff, Arizona, USA nel 2005 [10.1063/1.1994377].
Ab-initio calculations of the electronic properties of silicon nanocrystals : absorption, emission and stokes shift
G. Onida;M. Gatti;
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.
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