Transverse polarizabilities of carbon nanotubes

A Hartree-Fock and density functional study

Edward Brothers, Konstantin N. Kudin, Gustavo E. Scuseria, Charles W. Bauschlicher

Research output: Contribution to journalArticle

33 Citations (Scopus)

Abstract

The transverse polarizabilities of carbon nanotubes are computed using Hartree-Fock (HF) and density functional theory (DFT). The results of these calculations have implications for nanoelectronics, specifically for the possibility of using nanotubes as shielding for nanoelectrical components, as the results do not support the proposed enhanced polarizability, and hence enhanced shielding, of nanotubes based on metallicity. The HF and DFT calculations are shown to be in close agreement, and this agreement is discussed. We find the polarizability per unit length depends on the square of the tube radius, and is not dependent on metallicity. The current calculations are consistent with tight binding calculations using four orbitals per carbon with regard to both trend and magnitude, but differ from some recent tight binding calculations performed using one orbital per carbon. The calculations detailed in this paper are the most elaborate to date, and settle contradictory reports in the literature.

Original languageEnglish
Article number033402
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume72
Issue number3
DOIs
Publication statusPublished - 15 Jul 2005
Externally publishedYes

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Carbon Nanotubes
Carbon nanotubes
carbon nanotubes
Shielding
Nanotubes
metallicity
Density functional theory
shielding
nanotubes
Carbon
density functional theory
orbitals
Nanoelectronics
carbon
tubes
trends
radii

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Transverse polarizabilities of carbon nanotubes : A Hartree-Fock and density functional study. / Brothers, Edward; Kudin, Konstantin N.; Scuseria, Gustavo E.; Bauschlicher, Charles W.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 72, No. 3, 033402, 15.07.2005.

Research output: Contribution to journalArticle

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