Abstract
In this paper, we perform Monte Carlo simulations of SiO2 thin film
growth on silicon. The results indicate the formation of
non-stochiometric SiOx (0 < x < 2) transition layers 1.2-2.5 nm wide
depending on the growth simulation parameters, and that the interfacial
silicon molar content follows closely an error function profile. We
study the role of the SiOx layers on the confinement properties of
SiO2/Si/SiO2 single quantum wells by means of the effective mass theory.
The electron and heavy-hole energy levels are shown to be strongly
blue-shifted in comparison with those calculated when the existence of
interfacial SiOx transition layers is disregarded. The recombination
energy of the ground-state electron-hole pair is blue-shifted several
hundred millielectronvolts when the graded interfaces in 3 nm wide
SiO2/Si/SiO2 wells are as thin as a monolayer. (C) 2000 Elsevier Science
S.A. All rights reserved.
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