Abstract
A series of the toroidal cage forms of graphitic carbon is proposed. They have local topological structures of positive Gaussian curvature (for instance ) and of negative Gaussian curvature. The toroidal forms consist of fivefold, sixfold, and sevenfold carbon rings. The cohesive energies of the tori (, where n ranges from 120 to 1920), which are calculated by molecular dynamics, indicate that these structures are energetically more stable than . These structures are also found to be thermodynamically stable by means of a finite-temperature simulation.
- Received 9 November 1992
DOI:https://doi.org/10.1103/PhysRevB.47.12908
©1993 American Physical Society