First-principles calculations of vibrational lifetimes and decay channels: hydrogen-related modes in Si.

  title={First-principles calculations of vibrational lifetimes and decay channels: hydrogen-related modes in Si.},
  author={David West and Stefan K. Estreicher},
  journal={Physical review letters},
  volume={96 11},
The vibrational lifetimes and decay channels of local vibrational modes are calculated from first principles at various temperatures. Our method can be used to predict the temperature dependence of the lifetime of any normal mode in any crystal. We focus here on the stretch modes of H2*, H+(BC), and VH x HV in Si. The frequencies are almost identical, but the lifetimes vary from 4 to 295 ps. The calculations correctly predict the lifetimes for T > 50 K and illustrate the critical importance of… CONTINUE READING

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Solid State Phenom

  • L. C. Feldman, G. Lüpke, N. H. Tolk
  • 95–96, 123
  • 2004
1 Excerpt


  • A. Stetsmans
  • Rev. B 61, 8393 (2000); J. Appl. Phys. 88, 489
  • 2000


  • E. Artacho, D. Sánchez-Portal, P. Ordejón
  • Garcı́a, and J. M. Soler, Phys. Status Solidi B…
  • 1999
1 Excerpt

in Monte Carlo Methods in Chemical Physics

  • G. Peslherbe, X. Wang, W. Hase
  • edited by D. M. Ferguson, J. Ila Siepmann, and D…
  • 1998


  • D. Sánchez-Portal, P. Ordejón, E. Artacho, J. M. Soler
  • J. Quantum Chem. 65, 453
  • 1997
1 Excerpt


  • J. W. Lyding, K. Hess, I. C. Kizilyalli
  • Phys. Lett. 68, 2526
  • 1996
1 Excerpt


  • T.-C. Shen, C. Wang, G. C. Abeln, J. R. Tucker, J. W. Lyding
  • Avouris, and R. E. Walkup, Science 268, 1590
  • 1995
1 Excerpt


  • A. Nitzan, J. Jortner
  • Phys. 25, 713 (1973); A. Nitzan, S. Mukamel, and…
  • 1974
1 Excerpt

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