Finite-size effect and wall polarization in a carbon nanotube channel

Deyu Lu, Yan Li, Slava V. Rotkin, Umberto Ravaioli, Klaus Schulten

Research output: Contribution to journalArticle

Abstract

The electronic structure and dielectric screening of finite-length armchair carbon nanotubes are studied in view of their technical applications. For this purpose, a self-consistent tight-binding method, which captures the periodic oscillation pattern of the finite band gap as a function of tube length, is applied. We find the parallel screening constant ε∥ to grow nearly linearly with the length L and to show little dependence on the band gap. In contrast, the perpendicular screening constant ε⊥ is strongly related to the band gap and converges for L > 10R (radius) to its bulk value. Our description is employed to study the wall polarization in a short (6,6) nanotube filled with six water molecules, a situation that arises with technical uses of carbon nanotubes as channels.

Original languageEnglish (US)
Pages (from-to)2383-2387
Number of pages5
JournalNano letters
Volume4
Issue number12
DOIs
StatePublished - Dec 1 2004

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ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering

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