Interlayer hybridization in graphene quasicrystal systems


Abstract in English

The incommensurate 30$^{circ}$ twisted bilayer graphene possesses both relativistic Dirac fermions and quasiperiodicity with 12-fold rotational symmetry arising from the interlayer interaction [Ahn et al., Science textbf{361}, 782 (2018) and Yao et al., Proc. Natl. Acad. Sci. textbf{115}, 6928 (2018)]. Understanding how the interlayer states interact with each other is of vital importance for identifying and subsequently engineering the quasicrystalline order for the applications in future electronics and optoelectronics. Herein, via symmetry and group representation theory we unravel an interlayer hybridization selection rule for $D_{6d}$ bilayer consisting of two $C_{6v}$ monolayers no matter the system size, i.e., only the states from two $C_{6v}$ subsystems with the same irreducible representations are allowed to be hybridized with each other. The hybridization shows two categories including the equivalent and non-equivalent hybridizations with corresponding 12-fold symmetrical and 6-fold symmetrical antibonding (bonding) states, which are respectively generated from $A_1+A_1$, $A_2+A_2$, $E_1+E_1$, and $E_2+E_2$ four paring states and $B_1+B_1$ and $B_2+B_2$ two paring states. With the help of $C_6$ and $sigma_x$ symmetry operators, calculations on the hybridization matrix elements verify the characteristic of the zero non-diagonal and nonzero diagonal patterns required by the hybridization selection rule. In reciprocal space, a vertical electric field breaks the 12-fold symmetry of originally resonant quasicrystalline states and acts as a polarizer allowing the hybridizations from two $E_1$, $E_2$ and $B_2$ paring states but blocking others. Our theoretical framework also paves a way for revealing the interlayer hybridization for bilayer system coupled by the van der Waals interaction.

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