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Phys Rev Lett. 2004 Jun 11;92(23):236805. Epub 2004 Jun 11.

Quantum confinement and electronic properties of silicon nanowires.

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  • 1School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0430, USA.


We investigate the structural, electronic, and optical properties of hydrogen-passivated silicon nanowires along [110] and [111] directions with diameter d up to 4.2 nm from first principles. The size and orientation dependence of the band gap is investigated and the local-density gap is corrected with the GW approximation. Quantum confinement becomes significant for d<2.2 nm, where the dielectric function exhibits strong anisotropy and new low-energy absorption peaks start to appear in the imaginary part of the dielectric function for polarization along the wire axis.

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