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A first-principles study of the electronic properties of silicon quantum wires

Author

Listed:
  • Needs, R.J.
  • Read, A.J.
  • Nash, K.J.
  • Bhattarcharjee, S.
  • Qteish, A.
  • Canham, L.T.
  • Calcott, P.D.J.

Abstract

We describe the results of first-principles pseudopotential calculations for H-terminated Si wires, with thickness up to 16 Å, which yield the band gaps, effective masses and optical matrix elements. The zero-phonon radiative lifetime for recombination of localised excitons in a 16 Å-wide wire is calculated to be 560 μs. This is in reasonable agreement with the value of 130 μs deduced from experiments on samples of porous Si. Comparison with effective-mass theory indicates that the latter is likely to be valid for wires wider than about 33 Å. Our results are consistent with a model in which the luminescent properties of porous Si are due to quantum-confined carriers in wire-like crystalline Si structures.

Suggested Citation

  • Needs, R.J. & Read, A.J. & Nash, K.J. & Bhattarcharjee, S. & Qteish, A. & Canham, L.T. & Calcott, P.D.J., 1994. "A first-principles study of the electronic properties of silicon quantum wires," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 207(1), pages 411-419.
    • Handle: RePEc:eee:phsmap:v:207:y:1994:i:1:p:411-419
    DOI: 10.1016/0378-4371(94)90403-0
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