Abstract
Local density-functional total-energy calculations reveal a model for quasispherical nested fullerenes that corresponds to a local minimum on the carbon energy surface and involves a change in ring statistics. The model scales well with fullerene size, is consistent with a recent sputtering mechanism for their formation, and simulated high-resolution TEM images coincide with experimental observations. The calculations yield interlayer energies in the 11-15 meV/atom range for two (Formula presented) molecules and indicate that these quasispherical (Formula presented) molecules should be semiconducting with a very small gap.
Original language | English |
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Pages (from-to) | 13339-13342 |
Number of pages | 4 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 57 |
Issue number | 21 |
DOIs | |
Publication status | Published - 1998 |
Externally published | Yes |