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

Abstract

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 (LDOS) 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 a long the armchair direction.

References in corpus (4)

• Boron nitride substrates for high-quality graphene electronics
• Intrinsic and Extrinsic Performance Limits of Graphene Devices on SiO2
• STM Spectroscopy of ultra-flat graphene on hexagonal boron nitride
• Emergence of Superlattice Dirac Points in Graphene on Hexagonal Boron Nitride

Cited by in corpus (18)

• Electronic properties of graphene hexagonal boron nitride moiré superlattice
• Moir{é} patterns as a probe of interplanar interactions: graphene on h-BN
• Interlayer interaction in general incommensurate atomic layers
• Spontaneous Strains and Gap in Graphene on Boron Nitride
• Nanoscale Strain Engineering of Giant Pseudo-Magnetic Fields, Valley Polarization and Topological Channels in Graphene
• Structure of twisted and buckled bilayer graphene
• Pseudomagnetic fields in graphene nanobubbles of constrained geometry: A molecular dynamics study
• Graphene quantum dot on boron nitride: Dirac cone replica and Hofstadter butterfly
• Moiré pattern interlayer potentials in van der Waals materials from random-phase approximation calculations
• Stacking in incommensurate graphene/hexagonal-boron-nitride heterostructures based on ab initio study of interlayer interaction
• Midgap states and band gap modification in defective graphene/h-BN heterostructures
• Graphene on hexagonal lattice substrate: Stress and Pseudo-magnetic field
• Edge modes and non local conductance in graphene superlattices
• Band structure and inter-tube optical transitions in double-walled carbon nanotubes
• Membrane amplitude and triaxial stress in twisted bilayer graphene deciphered using first-principles directed elasticity theory and scanning tunneling microscopy
• Adhesion and Reconstruction of Graphene/Hexagonal Boron Nitride Heterostructures: A Quantum Monte Carlo Study
• Tight binding approximation for bilayer graphene and nanotube structures: from commensurability to incommensurability between the layers
• Thermal transport in van der Waals graphene/boron-nitride structure: a molecular dynamics study