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Metallic and semi-metallic <100> silicon nanowires

R. Rurali·N. Lorente
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Abstract

Silicon nanowires grown along the <100>-direction with a bulk Si core are studied with density functional calculations. Two surface reconstructions prevail after exploration of a large fraction of the phase space of nanowire reconstructions. Despite their energetical equivalence, one of the reconstructions is found to be strongly metallic while the other one is semi-metallic. This electronic-structure behavior is dictated by the particular surface states of each reconstruction. These results imply that doping is not required in order to obtain good conducting Si nanowires.

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R. Rurali, N. Lorente. 2004-12-09. Metallic and semi-metallic <100> silicon nanowires. https://doi.org/10.1103/physrevlett.94.026805

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