`Electronic Properties of Low-Dimensional Si Nanostructures 1. Local Electronic Probabilities'
J.Koga, K.Nishio, H.Ohtani, T.Yamaguchi and F.Yonezawa
Journal of Physical Society of Japan 69 2188 (2000).

Although extensive studies have been carried out concerning the effective visible photoluminescence (PL) from porous and nanostructure Si, no conclusive argument about the mechanism of PL has been reported so far. The well-known quantum confinement model is appealing, but is an oversimplified model. As a first step towards a detailed analysis of the problem, we report in this series of papers local electronic properties of low-dimensional Si nanostructures, calculated in the non-orthogonal tight-binding(NTB) scheme. In the present paper(part1), we propose the existence of characteristic "layer states" for the electrons in a quantum wire, which is important in a detailed analysis of PL from Si. A succeeding paper (part2) will be devoted to the analysis of the local density of states.

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2000/10/12