Abstract
We investigate the structural, electronic, and optical properties of hydrogen-passivated silicon nanowires along [110] and [111] directions with diameter 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 approximation. Quantum confinement becomes significant for , 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.
- Received 31 December 2003
DOI:https://doi.org/10.1103/PhysRevLett.92.236805
©2004 American Physical Society