Quantum confinement and electronic properties of silicon nanowires.
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.
Zhao
Xinyuan
X
School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0430, USA.
Wei
C M
CM
Yang
L
L
Chou
M Y
MY