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Calculation of the Electronic Structure of Silicon Nanocrystals

Published online by Cambridge University Press:  28 February 2011

Nicola A. Hill  and
K. Birgitta Whaley
Nicola A. Hill
Affiliation:
Department of Chemistry, University of California, Berkeley, California 94720
K. Birgitta Whaley
Affiliation:
Department of Chemistry, University of California, Berkeley, California 94720
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Abstract

The densities of states for Si nanocrystals with diameters between 15 and 35 Å are calculated using a time-dependent algorithm within the tight-binding approximation [1]. The calculated effects of surface termination and surface relaxation on the electronic properties of Si are shown. The variation in band-gap with cluster size is calculated for clusters up to 60 Å in diameter.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 358: Symposium F – Microcrystalline and Nanocrystalline Semiconductors , 1994 , 25
Copyright
Copyright © Materials Research Society 1995

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References

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