Abstract
The Si(111):H surface is studied within the framework of density-functional theory using the local-density approximation. In particular, the Si-H stretch mode is investigated in detail. The phonon-phonon interaction strength is found to be 2Γ=-76.6 and the phonon bandwidth to be 7.2 . Two-phonon bound states are found to exist with a binding energy of 86.4 , in excellent agreement with the recent experimental result of 90 .
- Received 6 July 1992
DOI:https://doi.org/10.1103/PhysRevLett.69.2543
©1992 American Physical Society