Abstract
Small clusters with are studied using the tight-binding molecular-dynamics method generalized to treat heteronuclear systems. Our results confirm recent experimental deduction of the bonding behavior of Ni towards The direction of the charge transfer is found to depend on the geometry of the cluster. Furthermore, the present results reveal a striking dissimilarity in the bonding behavior between and Ni-graphite systems.
- Received 1 February 1999
DOI:https://doi.org/10.1103/PhysRevB.60.4521
©1999 American Physical Society