Journal of Chemical Physics, Vol.105, No.20, 9371-9374, 1996
Vibrational-Energy Relaxation of Adsorbate Vibrations - A Theoretical-Study of the H/Si(111) System
The energy relaxation rate for the first excited stretching vibration of hydrogen atoms adsorbed on an Si(111) surface is calculated treating the motions of the H atoms quantum mechanically and computing the substrate phonon spectrum by molecular dynamics. The relaxation occurs through excitation of three bending modes and emission of a 188 cm(-1) phonon.