Fig. 6: Interlayer energetics of bilayer graphene.
From: Cartesian atomic moment machine learning interatomic potentials
a Bilayer graphene in AB, AA, and saddle point (SP) stacking, where the blue solid dots represent atoms in the bottom layer, and the green hollow dots represent atoms in the top layer. b Interlayer energy Eint versus layer distance d of bilayer graphene in AB and AA stacking. The dots represent DFT results. The layer distance is shifted such that Δd = d − d0, where d0 = 3.4 Å is the equilibrium layer distance. c Generalized stacking fault energy of bilayer graphene. This is obtained by sliding the top layer against the bottom layer at a fixed layer distance of d0, where Δa1 and Δa2 indicate the shifts of the top layer against the bottom layer, along the lattice vectors a1 and a2, respectively.
