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Calculation of the Electronic Structure of Silicon Nanocrystals

  • Nicola A. Hill (a1) and K. Birgitta Whaley (a1)

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.

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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)
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)
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)
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)
5 Batson, P.E. and Heath, J.R., Phys.Rev.Lett. 71, 911 (1993)
6 Vogl, P., Hjalmarson, H.P. and Dow, J.D., J.Phys.Chem.Solids 44, 365 (1983)
7 Gaussian Inc., 4415 Fifth Avenue, Pittsburgh, PA 15213
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)
9 Petrova-Koch, V. and Muschik, T., to appear in Thin Solid Films

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Calculation of the Electronic Structure of Silicon Nanocrystals

  • Nicola A. Hill (a1) and K. Birgitta Whaley (a1)

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