Abstract

We study by means of density-functional calculations the role of lateral surfacereconstructions in determining the electrical properties of silicon nanowires. The different lateral reconstructions are explored by relaxing all thenanowires with crystalline bulk silicon structure and all possible ideal facets thatcorrespond to an average diameter of 1.5 nm. We show that the reconstruction inducesthe formation of ubiquitous surface states that make the wires semi-metallic ormetallic.

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