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Optimizing Electronic Structure and Quantum Transport at the Graphene-Si(111) Interface: AnAb InitioDensity-Functional Study
2013
Physical Review Letters
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
doi:10.1103/physrevlett.110.176805
pmid:23679758
fatcat:era4npiup5axpksy7cagxanfhi