New Computational Approach to Electron Transport in Irregular Graphene Nanostructures

POSTER

Abstract

For novel graphene devices of nanoscale-to-macroscopic scale, many aspects of their transport properties are not easily understood due to difficulties in fabricating devices with regular edges. Here we develop a framework to efficiently calculate and potentially screen electronic transport properties of arbitrary nanoscale graphene device structures. A generalization of the established recursive Green's function method is presented, providing access to arbitrary device and lead geometries with substantial computer-time savings. Using single-orbital nearest-neighbor tight-binding models and the Green's function-Landauer scattering formalism, we will explore the transmission function of irregular two-dimensional graphene-based nanostructures with arbitrary lead orientation. Prepared by LBNL under contract DE-AC02-05CH11231 and supported by the U.S. Dept. of Energy Computer Science Graduate Fellowship under grant DE-FG02-97ER25308.

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Authors

  • Douglas Mason

    • Physics Dept., Harvard University, Cambridge, MA

  • Eric Heller

    • Physics Dept., Harvard University, Cambridge, MA

  • David Prendergast

    • Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA
    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720
    • Lawrence Berkeley National Lab

  • Jeffrey B. Neaton

    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA
    • Lawrence Berkeley National Laboratory