Extended tight-binding potential for modelling intertube interactions in carbon nanotubes

A. Carlson, T. Dumitricǎ

Research output: Contribution to journalArticlepeer-review

41 Scopus citations

Abstract

Due to the intrinsic connection between the mechanical properties of carbon nanotubes and their long-ranged interactions, an accurate description for both covalent and van der Waals forces is desired in nanomechanical studies. A tight-binding treatment offers an accurate description for the covalent bonding but fails to account for the long-ranged attractions and for the energy variations of graphite layers under relative shift. Combining the most reliable experimental data on graphite (equilibrium interlayer spacing, Z-axis compressibility, and the interlayer shear-mode frequency), tight-binding is extended to model the interlayer interactions of graphitic structures.

Original languageEnglish (US)
Article number065706
JournalNanotechnology
Volume18
Issue number6
DOIs
StatePublished - Feb 14 2007

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