Abstract
In this paper, the deposition of fullerenes on a diamond surface and the fabrication of thin film at 100 K were investigated by a molecular dynamics (MD) simulation using the many-body Brenner bond order potential. First, we found that the collision dynamic of a single fullerene on a diamond surface was strongly dependent on its impact energy. Within the energy range 10–45 eV, the fullerene chemisorbed on the surface retained its free cage structure. This is consistent with the experimental observation, where it was called the memory effect in -type” films [P. Melion et al., Int. J. Mod. B 9, 339 (1995); P. Milani et al., Cluster Beam Synthesis of Nanostructured Materials (Springer, Berlin, 1999)]. Next, more than one hundred (10–25 eV) were deposited one after the other onto the surface. The initial growth stage of thin film was observed to be in the three-dimensional island mode. The randomly deposited fullerenes stacked on diamond surface and acted as building blocks forming a polymerlike structure. The assembled film was also highly porous due to cluster-cluster interaction. The bond angle distribution and the neighbor-atom-number distribution of the film presented a well-defined local order, which is of hybridization character, the same as that of a free cage. These simulation results are again in good agreement with the experimental observation. Finally, the deposited film showed high stability even when the temperature was raised up to 1500 K.
- Received 10 September 2001
DOI:https://doi.org/10.1103/PhysRevB.66.035405
©2002 American Physical Society