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, E., G., C., E., L., Magri, R., Ossicini, S., D., N., Bisi, O., G., O., M., G., A., I., O., P., R., D.S.. - In: AIP CONFERENCE PROCEEDINGS. - ISSN 0094-243X. - STAMPA. - 772:(2005), pp. 759-760. (PHYSICS OF SEMICONDUCTORS: 27th International Conference on the Physics of Semiconductors, ICPS-27 Flagstaff, AZ, usa 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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