English

Phonon Linewidths in Twisted Bilayer Graphene near Magic Angle

Mesoscale and Nanoscale Physics 2024-10-10 v2 Materials Science

Abstract

We present a computational study of the phonon linewidths in twisted bilayer graphene arising from electron-phonon interactions and anharmonic effects. The electronic structure is calculated using distance-dependent transfer integrals based on the atomistic Slater-Koster tight-binding formalism, including electron-electron interactions treated at the Hartree level, and the phonons are calculated using classical force fields. These ingredients are used to calculate the phonon linewidths arising from electron-phonon interactions. Furthermore, anharmonic effects on the linewidths are computed using the mode-projected velocity autocorrelation function obtained from classical molecular dynamics. We predict a moir\'e potential induced splitting of this mode, which arises due to contributions from high symmetry stacking regions. Our findings show that both electron-phonon and anharmonic effects have a significant impact on the linewidth of the Raman active G mode near the magic angle.

Keywords

Cite

@article{arxiv.2403.09692,
  title  = {Phonon Linewidths in Twisted Bilayer Graphene near Magic Angle},
  author = {Shinjan Mandal and Indrajit Maity and H. R. Krishnamurthy and Manish Jain},
  journal= {arXiv preprint arXiv:2403.09692},
  year   = {2024}
}

Comments

6 pages, 4 figures (Supplementary 13 pages, 11 figures)

R2 v1 2026-06-28T15:20:37.549Z