Silicon nanowire band gap modification.

  title={Silicon nanowire band gap modification.},
  author={Michael Nolan and Sean O'Callaghan and Giorgos Fagas and James C. Greer and Thomas Frauenheim},
  journal={Nano letters},
  volume={7 1},
Band gap modification for small-diameter (approximately 1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter wires exhibit a direct band gap that increases as the wire diameter narrows, irrespective of surface termination. This effect has been observed in previous experimental and theoretical studies for hydrogenated wires. For a fixed cross-section… CONTINUE READING
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