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Tayran C, Zhu Z, Baldoni M, et al. Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: an ab initio density-functional study. Phys Rev Lett. 2013;110(17):176805doi: 10.1103/PhysRevLett.110.176805.
Tayran, C., Zhu, Z., Baldoni, M., Selli, D., Seifert, G., & Tománek, D. (2013). Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: an ab initio density-functional study. Physical review letters, 110(17), 176805. https://doi.org/10.1103/PhysRevLett.110.176805
Tayran, Ceren, et al. "Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: an ab initio density-functional study." Physical review letters vol. 110,17 (2013): 176805. doi: https://doi.org/10.1103/PhysRevLett.110.176805
Tayran C, Zhu Z, Baldoni M, Selli D, Seifert G, Tománek D. Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: an ab initio density-functional study. Phys Rev Lett. 2013 Apr 26;110(17):176805. doi: 10.1103/PhysRevLett.110.176805. Epub 2013 Apr 26. PMID: 23679758.
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Phys Rev Lett. 2013 Apr 26;110(17):176805. doi: 10.1103/PhysRevLett.110.176805. Epub 2013 Apr 26.

Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: an ab initio density-functional study.

Physical review letters

Ceren Tayran, Zhen Zhu, Matteo Baldoni, Daniele Selli, Gotthard Seifert, David Tománek

Affiliations

  1. Physics and Astronomy Department, Michigan State University, East Lansing, Michigan 48824, USA.

PMID: 23679758 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 find 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.

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