Ab-Initio Simulation Laboratory

Citation:

Zhao, X. Y., Wei C. M., Yang L., & Chou M. Y. (2004).  Quantum confinement and electronic properties of silicon nanowires. Physical Review Letters. 92, 4., Jun, Number 23

Abstract:

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.

Notes:

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