Abstract
The relative stabilities of various geometries of 20-atom carbon cluters are investigated to determine the ground state, using a generalized tight-binding molecular dynamics technique. The 20-atom fullerene cage (relaxing to symmetry due to Jahn-Teller distortion) is found to be the most stable structure even when compared to the recently proposed bicyclic ring structure.
- Received 22 November 1993
DOI:https://doi.org/10.1103/PhysRevB.49.7739
©1994 American Physical Society