We use a hybrid k p theory - tight binding (HkpTB) model to describe interlayer coupling simultaneously in both Bernal and twisted graphene structures. For Bernal-aligned interfaces, HkpTB is parametrized using the full Slonczewski-Weiss-McClure (SWMcC) Hamiltonian of graphite1, which is then used to refine the commonly used Bistritzer-MacDonald (BM) model for twisted interfaces2,3, by deriving additional terms that reflect all details of the full SWMcC model of graphite. We find that these terms introduce electron-hole asymmetry in the band structure of twisted bilayers, but in twistronic multilayer graphene, they produce only a subtle change of moir´e miniband spectra, confirming the broad applicability of the BM model for implementing the twisted interface coupling in such systems.
|Journal||Physical Review B|
|Publication status||Accepted/In press - 20 Jul 2021|
Research Beacons, Institutes and Platforms
- National Graphene Institute