Tunable band gap in twisted bilayer graphene

Autor: Jiang, Xiu-Cai, Zhao, Yi-Yuan, Zhang, Yu-Zhong
Rok vydání: 2024
Předmět:
Zdroj: Physical Review B 105, 115106 (2022)
Druh dokumentu: Working Paper
DOI: 10.1103/PhysRevB.105.115106
Popis: At large commensurate angles, twisted bilayer graphene which holds even parity under sublattice exchange exhibits a tiny gap. Here, we point out a way to tune this tiny gap into a large gap. We start from comprehensive understanding of the physical origin of gap opening by density functional theory calculations. We reveal that the effective inter-layer hopping, intra-layer CDW, or inter-layer charge imbalance favors a gap. Then, on the basis of tight-binding calculations, we suggest that a periodic transverse inhomogeneous pressure, which can tune inter-layer hoppings in specific regions of the moi$\rm\acute{r}$e supercell, may open a gap of over $100$~meV, which is further confirmed by first-principles calculations. Our results provide a theoretical guidance for experiments to open a large gap in twisted bilayer graphene.
Comment: 9 pages, 9 figures
Databáze: arXiv