Stone-Wales Transformation Paths in Fullerene C60

Details Stone-Wales Transformation Paths in Fullerene C60 Stone-Wales Transformation Paths in Fullerene C60

2005-06-22

arxiv.org/abs/cond-mat/0506571v1

Pis'ma Zh. Exp. Teor. Fiz. 81, 656 (2005) [JETP Lett. 81, 533 (2005)]

Physics

Condensed Matter

Other Condensed Matter

10 pages, 6 figures

Scientific paper

10.1134/1.1996764

The mechanisms of formation of a metastable defect isomer of fullerene C60 due to the Stone-Wales transformation are theoretically studied. It is demonstrated that the paths of the "dynamic" Stone-Wales transformation at a high sufficient for overcoming potential barriers) temperature can differ from the two "adiabatic" transformation paths discussed in the literature. This behavior is due to the presence of a great near-flat segment of the potential-energy surface in the neighborhood of metastable states. Besides, the sequence of rupture and formation of interatomic bonds is other than that in the case of the adiabatictransformation.

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