Application of the tight-binding method to the elastic modulus of C60 and carbon nanotube

摘要

The bulk modulus of C60, Young's modulus of carbon nanotube, and the corresponding bond length are calculated by the tight binding method (M.J. Mehl and D.A. Papaconstantopoulos, Phys. Rev. B 54 (1996) 4519). The calculated bond lengths of C60 and the nanotube are in good agreement with experiments or first principle calculations. The calculated Young's modulus of the nanotube is found to be equal to 0.95 TPa, the bulk modulus of C60 is 0.86 TPa. These results also fall within the range of experimental data. In addition, the bulk modulus formula of C60 and Young's modulus of nanotubes are discussed further. (C) 2003 Elsevier B.V. All rights reserved. [References: 27]