Structural and electronic transformation in low-angle twisted bilayer graphene

F Gargiulo and OV Yazyev, 2D MATERIALS, 5, 015019 (2018).

DOI: 10.1088/2053-1583/aa9640

Experiments on bilayer graphene unveiled a fascinating realization of stacking disorder where triangular domains with well-defined Bernal stacking are delimited by a hexagonal network of strain solitons. Here we show by means of numerical simulations that this is a consequence of a structural transformation of the moire pattern inherent to twisted bilayer graphene taking place at twist angles theta below a crossover angle theta(star) = 1.2 degrees. The transformation is governed by the interplay between the interlayer van der Waals interaction and the in- plane strain field, and is revealed by a change in the functional form of the twist energy density. This transformation unveils an electronic regime characteristic of vanishing twist angles in which the charge density converges, though not uniformly, to that of ideal bilayer graphene with Bernal stacking. On the other hand, the stacking domain boundaries form a distinct charge density pattern that provides the STM signature of the hexagonal solitonic network.

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