Static dielectric properties of carbon nanotubes from first principles

Details Static dielectric properties of carbon nanotubes from first principles Static dielectric properties of carbon nanotubes from first principles

2006-02-25

arxiv.org/abs/cond-mat/0602599v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Submitted to Phys. Rev. Lett. on 09/28/2005

Scientific paper

10.1103/PhysRevLett.96.166801

We characterize the response of isolated single- (SWNT) and multi-wall (MWNT) carbon nanotubes and bundles to static electric fields using first-principles calculations and density-functional theory. The longitudinal polarizability of SWNTs scales as the inverse square of the band gap, while in MWNTs and bundles it is given by the sum of the polarizabilities of the constituent tubes. The transverse polarizability of SWNTs is insensitive to band gaps and chiralities and is proportional to the square of the effective radius; in MWNTs the outer layers dominate the response. The transverse response is intermediate between metallic and insulating, and a simple electrostatic model based on a scale-invariance relation captures accurately the first-principles results. Dielectric response of non-chiral SWNTs in both directions remains linear up to very high values of applied field.

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