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Localized doping through lithium intercalation in twisted bilayer graphene

ORAL

Abstract

Lithium atoms intercalating between layers of graphene show an energetic preference for regions of AA stacking. Density functional theory calculations employing commensurate supercells with twist angles of 7.3° and 2.5° are used to study the energetics, atomic relaxation, and electronic structure of Li intercalation in twisted graphene bilayers, with results extrapolated to the magic angle.

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Presenters

  • Daniel Larson

    Department of Physics, Harvard University, Harvard University

Authors

  • Daniel Larson

    Department of Physics, Harvard University, Harvard University

  • Georgios Tritsaris

    Harvard University

  • Stephen Carr

    Harvard University

  • Efthimios Kaxiras

    Harvard University, Department of Physics, Harvard University