Broken Symmetry, Boundary Conditions, and Band Gap Oscillations in Finite Single Wall Nanotubes

Details Broken Symmetry, Boundary Conditions, and Band Gap Oscillations in Finite Single Wall Nanotubes Broken Symmetry, Boundary Conditions, and Band Gap Oscillations in Finite Single Wall Nanotubes

2000-06-08

arxiv.org/abs/cond-mat/0006121v1

Physics

Condensed Matter

Materials Science

10 pages, 5 figures

Scientific paper

10.1103/PhysRevB.64.033414

We have shown how the interplay between the broken symmetry associated with the finite single-wall nanotubes (SWNT) and the boundary conditions affects the electronic properties of SWNTs in a profound way. For finite SWNTs (p,q) characterized by p=k+l,q=k-l,p-q=2l,l=0,1...,k, and k=1,2..., we found that the band gaps of finite SWNTs belonging to a certain k exhibit similar well-defined oscillating patterns but with diminishing amplitudes from the armchair (l=0) to the zigzag (l=k) SWNTs. These profound changes hold intiguing implications in the potential utilization of these finite NTs as the basic component of molecular scale devices.

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