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 ≃ s, contributes negligibly to the linewidth.
- Received 25 October 1984
DOI:https://doi.org/10.1103/PhysRevB.31.1184
©1985 American Physical Society