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

Lei Liu·C. S. Jayanthi·H. Guo·S. Y. Wu
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Abstract

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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Lei Liu, C. S. Jayanthi, H. Guo, S. Y. Wu. 2000-06-08. Broken Symmetry, Boundary Conditions, and Band Gap Oscillations in Finite Single Wall Nanotubes. https://doi.org/10.1103/physrevb.64.033414

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