Analytically calculated polarizability of carbon nanotubes

Single wall, coaxial, and bundled systems

Edward Brothers, Artur F. Izmaylov, Gustavo E. Scuseria, Konstantin N. Kudin

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

We present a comprehensive theoretical study of the polarizability of nanotubes and nanotube bundles modeled as periodic systems. Both static and dynamic fields are considered via our recent implementation of analytical methods for polarizability. The dynamic polarizability results in this article are nanotubes' response to the time-dependent electric fields, in contrast to earlier studies that focused on only static fields. Results are obtained using both density functional and Hartree-Fock theories with a Gaussian basis set and periodic boundary conditions. In addition to elaborating on previous finite-field static polarizability calculations, we investigated how polarizability varies with the field frequency spanning a range of energies up to the band gap values, as well as how polarizabilities are affected by nanotube interactions. These findings have interesting implications for nanoelectronic applications and provide guidance for experimental studies of nanotubes' polarizability.

Original languageEnglish
Pages (from-to)1396-1400
Number of pages5
JournalJournal of Physical Chemistry C
Volume112
Issue number5
DOIs
Publication statusPublished - 7 Feb 2008
Externally publishedYes

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Carbon Nanotubes
Nanotubes
Carbon nanotubes
nanotubes
carbon nanotubes
Electronic guidance systems
Nanoelectronics
Time varying systems
bundles
Energy gap
Electric fields
Boundary conditions
boundary conditions
electric fields
interactions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Analytically calculated polarizability of carbon nanotubes : Single wall, coaxial, and bundled systems. / Brothers, Edward; Izmaylov, Artur F.; Scuseria, Gustavo E.; Kudin, Konstantin N.

In: Journal of Physical Chemistry C, Vol. 112, No. 5, 07.02.2008, p. 1396-1400.

Research output: Contribution to journalArticle

Brothers, Edward ; Izmaylov, Artur F. ; Scuseria, Gustavo E. ; Kudin, Konstantin N. / Analytically calculated polarizability of carbon nanotubes : Single wall, coaxial, and bundled systems. In: Journal of Physical Chemistry C. 2008 ; Vol. 112, No. 5. pp. 1396-1400.
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