Jl. Ricardochavez et al., ENVIRONMENT EFFECTS ON THE ELECTRONIC-PROPERTIES OF CARBON FULLERENES- A LOCAL APPROACH, Fullerene science and technology, 6(5), 1998, pp. 769-786
The electronic structure of some relevant carbon fullerenes are determ
ined by using a sp-electron tight-binding Hamiltonian including Coulom
b interactions in the Hartree-Fock approximation. Surfaces with positi
ve, non-positive and mixed curvatures are considered in order to study
the effect of the local environment on the relevant electronic proper
ties. Nanotubes having different diameters and helicities are analyzed
and the results are compared with previous calculations. In each case
, the equilibrium bond-length R is optimized by maximizing the cohesiv
e energy E-coh(N). The perspectives and extensions of this study are a
lso discussed.