Ab initio quantum transport through armchair graphene nanoribbons: Streamlines in the current density

Abstract

We calculate the local current density in pristine armchair graphene nanoribbons (AGNRs) with varying width, $N_{\mathrm{C}}$, employing a density-functional-theory-based ab initio transport formalism. We observe very pronounced current patterns (streamlines) with threefold periodicity in $N_{\mathrm{C}}$. They arise as a consequence of quantum confinement in the transverse flow direction. Neighboring streamlines are separated by stripes of almost vanishing flow. As a consequence, the response of the current to functionalizing adsorbates is very sensitive to their placement: adsorbates located within the current filaments lead to strong backscattering, while adsorbates placed in other regions have almost no impact at all.

arXiv comment7 pages, 11 figures

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