Abstract
A molecular-dynamics study of the melting behavior of Au(111) (both reconstructed and unreconstructed) has been carried out using a recently developed many-body force scheme. The reconstructed (denser) surface remains stable up to the bulk melting temperature , showing no form of microscopic surface melting. By contrast, the two outermost layers of the unreconstructed surface "melt" ∼100 K below . However, no more layers melt as is approached. The nonmelting of Au(111) is contrasted with the gradual melting behavior of Lennard-Jones surfaces.
- Received 13 April 1987
DOI:https://doi.org/10.1103/PhysRevB.36.6701
©1987 American Physical Society