Abstract
The phonon dispersion of the Ge(001) surface has been calculated using density-functional perturbation theory and local-coupling transfer, which is a novel method for modeling dynamical matrices of large-size superstructures, such as the ( ) and ( ) phases. Furthermore, the surface phonons have been determined by inelastic He atom scattering. The measured scattering intensities can be explained only if higher-order reconstructions are assumed, indicating a correlation of the surface dimers with local ( ) or ( ) symmetry in Ge(001) at room temperature.
- Received 11 March 1997
DOI:https://doi.org/10.1103/PhysRevLett.79.1090
©1997 American Physical Society