Electronic transport through carbon nanotubes -- effects of structural deformation and tube chirality

Details Electronic transport through carbon nanotubes -- effects of structural deformation and tube chirality Electronic transport through carbon nanotubes -- effects of structural deformation and tube chirality

2002-02-20

arxiv.org/abs/cond-mat/0202362v1

Physics

Condensed Matter

Materials Science

To appear in Physical Review Letters

Scientific paper

10.1103/PhysRevLett.88.126805

Atomistic simulations using a combination of classical forcefield and Density-Functional-Theory (DFT) show that carbon atoms remain essentially sp2 coordinated in either bent tubes or tubes pushed by an atomically sharp AFM tip. Subsequent Green's-function-based transport calculations reveal that for armchair tubes there is no significant drop in conductance, while for zigzag tubes the conductance can drop by several orders of magnitude in AFM-pushed tubes. The effect can be attributed to simple stretching of the tube under tip deformation, which opens up an energy gap at the Fermi surface.

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