Formation energies of topological defects in carbon nanotubes
- 15 November 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 62 (19), 12652-12655
- https://doi.org/10.1103/physrevb.62.12652
Abstract
Tight-binding calculations are presented for the formation energies of a type of topological defect called the 5-77-5 defect in achiral carbon nanotubes. The calculations show that the defect formation energy is dependent on the chirality and radius of a tube as well as the different orientations of a 5-77-5 defect in a tube. We also presented trends of the defect formation energy varying with tube size in the whole size range of the achiral carbon nanotubes. Moreover, it is indicated that a positive bond length deviation originating from a 5-77-5 defect in a tube can improve the -like hybridization towards hybridization locally, which enhances the stability of the system.
Keywords
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