Full Slonczewski-Weiss-McClure parametrization of few-layer twistronic graphene

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, the HkpTB model is parametrized using the full Slonczewski-Weiss-McClure (SWMcC) Hamiltonian of graphite [E. McCann and M. Koshino, Rep. Prog. Phys. 76, 5 (2013)], which is then used to refine the commonly used Bistritzer-MacDonald model for twisted interfaces [J. M. B. Lopes dos Santos et al., Phys. Rev. Lett. 99, 256802 (2007); R. Bistritzer and A. H. MacDonald, Proc. Natl. Acad. Sci. USA 108, 12233 (2011)], by deriving additional terms that reflect all the 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 in moire miniband spectra, confirming the broad applicability of the BM model for implementing the twisted interface coupling in such systems.

Automated summary

The study employs a hybrid k . p-theory-tight-binding model to describe interlayer coupling in both Bernal and twisted graphene structures, finding that additional terms introduce electron-hole asymmetry in the band structure of twisted bilayers. In twistronic multilayer graphene, these terms produce only a subtle change in moire miniband spectra, confirming the broad applicability of the Bistritzer-MacDonald model for twisted interface coupling in such systems.