TCB Publications - Abstract

Deyu Lu, Yan Li, Slava V. Rotkin, Umberto Ravaioli, and Klaus Schulten. Finite-size effect and wall polarization in a carbon nanotube channel. Nano Letters, 4:2383-2387, 2004.

LU2004 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 $\epsilon_{\vert\vert}$ to grow nearly linearly with the length $L$ and to show little dependence on the band gap. In contrast, the perpendicular screening constant $\epsilon_{\perp}$ is strongly related to the band gap and converges for $L>10 R$ (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.

Download Full Text

The manuscripts available on our site are provided for your personal use only and may not be retransmitted or redistributed without written permissions from the paper's publisher and author. You may not upload any of this site's material to any public server, on-line service, network, or bulletin board without prior written permission from the publisher and author. You may not make copies for any commercial purpose. Reproduction or storage of materials retrieved from this web site is subject to the U.S. Copyright Act of 1976, Title 17 U.S.C.

Download full text: Journal, Request a Copy