Curvature, hybridization, and STM images of carbon nanotubes

Alex Kleiner,S. Eggert

Published 2001 in Physical Review B

ABSTRACT

The curvature effects in carbon nanotubes are studied analytically as a function of chirality. The $\ensuremath{\pi}$ orbitals are found to be significantly rehybridized in all tubes, so that they are never normal to the tubes' surface. This results in a curvature induced gap in the electronic band structure, which turns out to be larger than previous estimates. The tilting of the $\ensuremath{\pi}$ orbitals should be observable by atomic resolution scanning tunneling microscopy measurements.

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