A. I. Podlivaev, L. A. Openov, “Stone-Wales transformation paths in fullerene C<sub>60</sub>”, Pis'ma v Zh. Èksper. Teoret. Fiz., 2005, Volume 81, Issue 10,Pages <nobr>656

This article is cited in 30 papers

CONDENSED MATTER

Stone-Wales transformation paths in fullerene C₆₀

A. I. Podlivaev, L. A. Openov

Moscow Engineering Physics Institute (State University)

Abstract: 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. Moreover, the sequence of rupture and formation of interatomic bonds is other than that in the case of the adiabatic transformation.

PACS: 36.40.Cg, 61.48.+c, 71.15.Pd

Received: 28.04.2005