Factors Responsible for the Stability and the Existence of a Clean Energy Gap of a Silicon Nanocluster

Details Factors Responsible for the Stability and the Existence of a Clean Energy Gap of a Silicon Nanocluster Factors Responsible for the Stability and the Existence of a Clean Energy Gap of a Silicon Nanocluster

2000-12-13

arxiv.org/abs/cond-mat/0012217v1

Physics

Condensed Matter

Materials Science

26 pages including figures

Scientific paper

10.1063/1.1402672

We present a critical theoretical study of electronic properties of silicon
nanoclusters, in particular the roles played by symmetry, relaxation, and
hydrogen passivation on the the stability, the gap states and the energy gap of
the system using the order-N [O(N)] non-orthogonal tight-binding molecular
dynamics and the local analysis of electronic structure.

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