A tight-binding model for calculations of structures and properties of graphitic nanotubes

Abstract

A parameterized tight-binding model is applied to calculate the equilibrium structures, energies, band gaps and elastic properties of graphitic nanotubes with various helicities and radii. The structures, energies and band gaps for the tubes of large radii are in agreement with more accurate calculations. The elastic moduli depend only on the tube radius and follow the continuum model predictions.