Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: An ab-initio density-functional study
arXiv:1304.4528 · doi:10.1103/PhysRevLett.110.176805
Abstract
We use ab initio density functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We found that graphene forms strong bonds to the bare substrate and accommodates the 12% lattice mismatch by forming a wavy structure consisting of free-standing conductive ridges that are connected by ribbon-shaped regions of graphene, which bond covalently to the substrate. We perform quantum transport calculations for different geometries to study changes in the transport properties of graphene introduced by the wavy structure and bonding to the Si substrate. Our results suggest that wavy graphene combines high mobility along the ridges with efficient carrier injection into Si in the contact regions.
References in corpus (8)
- Energy Gaps in Graphene Nanoribbons
- Substrate-induced band gap opening in epitaxial graphene
- Atomic Structure of Graphene on SiO2
- Epitaxial graphene
- Periodically rippled graphene: growth and spatially resolved electronic structure
- High-Resolution Scanning Tunneling Microscopy Imaging of Mesoscopic Graphene Sheets on an Insulating Surface
- Origins of anomalous electronic structures of epitaxial graphene on silicon carbide
- Characterization of nanometer-sized, mechanically exfoliated graphene on the H-passivated Si(100) surface using scanning tunnelling microscopy