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 / Degoli, Elena; G., Cantele; E., Luppi; Magri, Rita; Ossicini, Stefano; D., Ninno; Bisi, Olmes; G., Onida; M., Gatti; A., Incze; O., Pulci; R., DEL SOLE. - In: AIP CONFERENCE PROCEEDINGS. - ISSN 0094-243X. - STAMPA. - 772:(2005), pp. 759-760. (Intervento presentato al convegno PHYSICS OF SEMICONDUCTORS: 27th International Conference on the Physics of Semiconductors, ICPS-27 tenutosi a Flagstaff, AZ, usa nel 26 July 2004 through 30 July 2004) [10.1063/1.1994377].
Ab-initio Calculations Of The Electronic Properties of Silicon Nanocrystals: Absorption, Emission, Stokes Shift
DEGOLI, Elena;MAGRI, Rita;OSSICINI, Stefano;BISI, Olmes;
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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