The initial stage of the defect formation in the C20 and C36 fullerenes has been investigated by the ab initio method and in terms of tight-binding models. A comparison with the Stone-Wales transformation in the C60 fullerene has revealed the presence of two independent stages in this process, the first of which is an "incomplete" Stone-Wales transformation. At this stage, the C20 and C36 fullerenes transform into metastable defect configurations with two adjacent "windows" on their surface, whereas a similar configuration of the C60 fullerene is unstable and corresponds to a saddle stationary point of the potential energy of the cluster. A new mechanism of plastic deformation due to the Stone-Wales transformation has been predicted for the (C36)n fullerites. © 2011 Pleiades Publishing, Ltd.
CITATION STYLE
Podlivaev, A. I., Katin, K. P., Lobanov, D. A., & Openov, L. A. (2011). Specific features of the stone-wales transformation in the C20 and C36 fullerenes. Physics of the Solid State, 53(1), 215–220. https://doi.org/10.1134/S1063783411010239
Mendeley helps you to discover research relevant for your work.