Electronic properties, band width, band gap and van Hove singularities, of (3,0), (4,0) and (9,0) zigzag nanotubes are comparatively investigated in the Harigaya's model and a toy model including the contributions of bonds of different types to the SSH Hamiltonian differently. Optical transition frequencies are calculated. In this way an experimental correlation between the two models is achieved.
@article{arxiv.cond-mat/0602455,
title = {Effects of Lagrangian Multipliers on SWCNT in Real Space},
author = {N. Sunel and E. Rizaoglu and K. Harigaya and O. Ozsoy},
journal= {arXiv preprint arXiv:cond-mat/0602455},
year = {2007}
}
Comments
accepted for publication in Int. J. Quantum Chem.; 11 pages; 5 figures