A multichannel model for the self-consistent analysis of coherent transport in graphene nanoribbons

ACS Nano. 2011 Aug 23;5(8):6109-18. doi: 10.1021/nn2011333. Epub 2011 Jul 12.

Abstract

In this contribution, we analyze the multichannel coherent transport in graphene nanoribbons (GNRs) by a scattering matrix approach. We consider the transport properties of GNR devices of a very general form, involving multiple bands and multiple leads. The 2D quantum transport over the whole GNR surface, described by the Schrödinger equation, is strongly nonlinear as it implies calculation of self-generated and externally applied electrostatic potentials, solutions of the 3D Poisson equation. The surface charge density is computed as a balance of carriers traveling through the channel at all of the allowed energies. Moreover, formation of bound charges corresponding to a discrete modal spectrum is observed and included in the model. We provide simulation examples by considering GNR configurations typical for transistor devices and GNR protrusions that find an interesting application as cold cathodes for X-ray generation. With reference to the latter case, a unified model is required in order to couple charge transport and charge emission. However, to a first approximation, these could be considered as independent problems, as in the example.

MeSH terms

  • Electricity
  • Graphite / chemistry*
  • Models, Theoretical*
  • Nanotubes, Carbon / chemistry*
  • Surface Properties

Substances

  • Nanotubes, Carbon
  • Graphite