Infrared linewidths and vibrational lifetimes at surfaces: H on Si(100). Academic Article uri icon

abstract

  • The temperature dependence of the natural linewidth of an adsorbate-substrate mode, Si-H, has been measured for the first time. Molecular-dynamics simulations of the infrared line shapes, with the use of an accurate ab initio force field and a novel stochastic method to include quantum effects, are in good agreement with experiment. Linewidths are shown to be dominated by pure dephasing above 250 K and by inhomogeneities at low temperature. The vibrational lifetime, computed to be 10-8 s, contributes negligibly to the linewidth. 1985 The American Physical Society.

published proceedings

  • Phys Rev B Condens Matter

author list (cited authors)

  • Tully, J. C., Chabal, Y. J., Raghavachari, K., Bowman, J. M., & Lucchese, R. R.

citation count

  • 146

complete list of authors

  • Tully, JC||Chabal, YJ||Raghavachari, K||Bowman, JM||Lucchese, RR

publication date

  • January 1985