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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

REFERENCES

1 Hill, N.A. and Whaley, K.B., J.Chem.Phys. 99, 3707 (1993) N.A. Hill and K.B. Whaley, J.Chem.Phys. 100, 2831 (1994)Google Scholar
2 Canham, L.T., Appl.Phys.Lett. 61,1948 (1992) Light emission from silicon, edited by S.S.Iyer, R.T.Collins and L.T.Canham, (Mater. Res. Soc. Proc. 256,Pittsburgh, PA, 1992)Google Scholar
3 Ren, S.Y. and Dow, J.D., Phys.Rev.B 45, 6492 (1992) J.P.Proot, C.Delerue and G.Allen, Appl.Phys.Lett. 61,1948 (1992) B.Delley and E.F.Steigmeier, Phys.Rev.B 47, 1397 (1993) L.W.Wang and A.Zunger, J.Phys.Chem. 98, 2158 (1994) L.W.Wang and A.Zunger, J.Phys.Chem. 100,2394 (1994)Google Scholar
4 Takagi, H. et al. , Appl.Phys.Lett. 56,2379 (1990) A.Halimaoui et al., Appl.Phys.Lett. 59, 304 (1991) M.A.Tischler et al., Appl.Phys.Lett. 60,639 (1992) K.A.Littau et al., J.Phys.Chem. 97, 1224 (1993)Google Scholar
5 Batson, P.E. and Heath, J.R., Phys.Rev.Lett. 71, 911 (1993)Google Scholar
6 Vogl, P., Hjalmarson, H.P. and Dow, J.D., J.Phys.Chem.Solids 44, 365 (1983)Google Scholar
7 Gaussian Inc., 4415 Fifth Avenue, Pittsburgh, PA 15213Google Scholar
8 Jing, Z. and Whitten, J.L., Phys.Rev.B 46, 9544 (1992) E.Kaxiras and J.D.Joannopoulos, Phys.Rev.B 37, 8842 (1988)Google Scholar
9 Petrova-Koch, V. and Muschik, T., to appear in Thin Solid FilmsGoogle Scholar