We report strong electron-phonon coupling in magic-angle twisted bilayer graphene (MA-TBG) obtained from atomistic description of the system including more than 10 000 atoms in the moiré supercell. Electronic structure, phonon spectrum, and electron-phonon coupling strength λ are obtained before and after atomic-position relaxation both in and out of plane. Obtained λ is very large for MA-TBG, with λ>1 near the half-filling energies of the flat bands, while it is small (λ∼0.1) for monolayer and unrotated bilayer graphene. Significant electron-hole asymmetry occurs in the electronic structure after atomic-structure relaxation, so λ is much stronger with hole doping than electron doping. Obtained electron-phonon coupling is nearly isotropic and depends very weakly on electronic band and momentum, indicating that electron-phonon coupling prefers single-gap s-wave superconductivity. Relevant phonon energies are much larger than electron energy scale, going far beyond adiabatic limit. Our results provide a fundamental understanding of the electron-phonon interaction in MA-TBG, highlighting that it can contribute to rich physics of the system.
Bibliographical noteFunding Information:
This work was supported by National Research Foundation of Korea (Grant No. 2011-0018306). Y.W.C. acknowledges support from National Research Foundation of Korea (Global Ph.D. Fellowship Program NRF-2017H1A2A1042152). Computational resources have been provided by KISTI Supercomputing Center (Project No. KSC-2017-C3-0079).
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics