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Effective Band Gap of Si Nanocrystals Embedded in SiO2 Matrix

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Using a formulation of the Hartree-Fock formalism with the potential morphing method in the effective mass approximation, we calculate the effective band gap of Si nanocrystals embedded in SiO2 matrix without the existence of polysilane, as a function of their diameter in the size range 1–3.5 nm. Our results are in better agreement with the experimental data, in comparison with other existing theoretical data. For diameter smaller than 2 nm our results have the same tendency with the existing theoretical results, e.g., the discrepancy between theory and experiment seems to be essential.
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Document Type: Research Article

Publication date: 01 July 2006

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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