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Title: Graphene on boron-nitride: Moiré pattern in the van der Waals energy

The spatial dependence of the van der Waals (vdW) energy between graphene and hexagonal boron-nitride (h-BN) is investigated using atomistic simulations. The van der Waals energy between graphene and h-BN shows a hexagonal superlattice structure identical to the observed Moiré pattern in the local density of states, which depends on the lattice mismatch and misorientation angle between graphene and h-BN. Our results provide atomistic features of the weak van der Waals interaction between graphene and BN which are in agreement with experiment and provide an analytical expression for the size of the spatial variation of the weak van der Waals interaction. We also found that the A-B-lattice symmetry of graphene is broken along the armchair direction.
Authors:
 [1] ;  [2] ;  [1]
  1. Department of Physics, University of Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen (Belgium)
  2. (Iran, Islamic Republic of)
Publication Date:
OSTI Identifier:
22280531
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BORON NITRIDES; COMPUTERIZED SIMULATION; CRYSTAL DEFECTS; GRAPHENE; HEXAGONAL LATTICES; SPACE DEPENDENCE; SUPERLATTICES; SYMMETRY; VAN DER WAALS FORCES