Abstract
We use ab initio total-energy calculations to derive an interaction potential between Pd and graphite. A parametrized form of the potential, inspired by density-functional theory, is presented for use in molecular-dynamics simulations and the interpretation of atomic-force-microscopy images of graphite.
- Received 9 November 1990
DOI:https://doi.org/10.1103/PhysRevB.43.12623
©1991 American Physical Society