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Study of spin and valley properties of magic-angle twisted bilayer graphene based on density functional theory

ORAL

Abstract

Magic-angle twisted bilayer graphene (MA-TBG) has drawn great attention for its tunable flat bands by the twist angle. Various electronic phases have been observed experimentally at different doping concentrations, so quantitative theoretical study of corresponding electronic structures is required. In this work, we present spin-valley flavor-polarized electronic band structures based on the density functional theory (DFT). For the large number of atoms in the moiré supercell, we developed an efficient method to obtain electronic structures of doped MA-TBG from self-consistent DFT results of undoped MA-TBG. With this method, we studied spin-valley flavor-polarized electronic structures of MA-TBG as a function of doping. We discuss implication of our results compared with reported experimental observations.

Presenters

  • YoSep Cho

    Department of Physics, Yonsei University, Seoul 03722, Korea

Authors

  • YoSep Cho

    Department of Physics, Yonsei University, Seoul 03722, Korea

  • Young Woo Choi

    Department of Physics, Yonsei University, Seoul 03722, Korea / Present address: Department of Physics, University of California, Berkeley, CA 94720, USA, Department of Physics, Yonsei University, Seoul 03722, Korea; Present address: Department of Physics, University of California, Berkeley, CA 94720, USA

  • Hyoung Joon Choi

    Department of Physics, Yonsei University, Seoul 03722, Korea