Journal of Computational Electronics

, Volume 6, Issue 1, pp 317–320

Non-equilibrium Green’s function (NEGF) simulation of metallic carbon nanotubes including vacancy defects

Authors

    • Network for Computational Nanotechnology, Electrical and Computer EngineeringPurdue University
  • Shaikh Ahmed
    • Network for Computational Nanotechnology, Electrical and Computer EngineeringPurdue University
  • Gerhard Klimeck
    • Network for Computational Nanotechnology, Electrical and Computer EngineeringPurdue University
Article

DOI: 10.1007/s10825-006-0116-4

Cite this article as:
Neophytou, N., Ahmed, S. & Klimeck, G. J Comput Electron (2007) 6: 317. doi:10.1007/s10825-006-0116-4

Abstract

The electronic behavior of metallic carbon nanotubes under the influence of externally applied electric fields is investigated using the Non-Equilibrium Green’s function method self consistently coupled with three-dimensional (3D) electrostatics. A nearest neighbor tight binding model based on a single pz orbital for constructing the device Hamiltonian is used. The 3D Poisson equation is solved using the Finite Element Method. Carbon nanotubes exhibit a very weak metallic behavior, and external electric fields can alter the electrostatic potential of the tubes significantly. A single vacancy defect in the channel of a metallic carbon nanotube can decrease its conductance by a factor of two. More than one vacancy can further decrease the conductance.

Keywords

Carbon NanotubesDefectsVacanciesNon-Equilibrium Green’s FunctionFinite Element Method

Copyright information

© 2006 2006