Effects of Lagrangian Multipliers on SWCNT in Real Space

Details Effects of Lagrangian Multipliers on SWCNT in Real Space Effects of Lagrangian Multipliers on SWCNT in Real Space

2006-02-20

arxiv.org/abs/cond-mat/0602455v1

International Journal of Quantum Chemistry, Vol 106, 2100-2106 (2006)

Physics

Condensed Matter

Materials Science

accepted for publication in Int. J. Quantum Chem.; 11 pages; 5 figures

Scientific paper

10.1002/qua.20994

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.

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