Modeling the structure and interlayer interactions of twisted bilayer graphene
M.E. Belenkov, Maria Brzhezinskaya, V. A. Greshnyakov, E. A. Belenkov
Abstract
In this study, we have analyzed twist angles between layers at which the bilayer graphene (BLG) layer structure is periodic. In addition, the dependence of interlayer binding energies on the BLG layer’s twist angles was calculated using the atom-atom potential method. It was established that at small twist angles (below 4°) the interlayer binding energy changes monotonically, free of local energy minima and stable structural states. At large twist angles, the local energy minima positions weakly correlate with angles at which periodic Moiré superlattices arise.
Topics & Concepts
TwistMaxima and minimaBilayer grapheneSuperlatticeBilayerCondensed matter physicsMaterials scienceAtom (system on chip)GrapheneSupercellMolecular physicsPhysicsGeometryNanotechnologyChemistryMeteorologyEmbedded systemMembraneMathematical analysisComputer scienceMathematicsThunderstormBiochemistryGraphene research and applicationsFullerene Chemistry and ApplicationsMolecular Junctions and Nanostructures