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First-principles investigation on bonding formation and electronic structure of metal-graphene contacts
- Source :
- Applied Physics Letters. 94:103511
- Publication Year :
- 2009
- Publisher :
- AIP Publishing, 2009.
-
Abstract
- Metal-graphene contacts play a critical role in graphene-based electronics. It is found through first-principles calculation of contacts between graphene and 12 different metals that there exist two types of contacts depending on the strength of interaction between d-orbitals in metals and pz-orbitals in graphene. Fermi level shift in the contacted graphene from the freestanding one is investigated, and the electronic structure and electrostatic potential are calculated. The carrier transport through these contacts is calculated using the extended Huckel theory-based non-equilibrium Green’s function formalism, and one type of contact is shown to have less contact resistance than the other.
- Subjects :
- Materials science
Physics and Astronomy (miscellaneous)
Condensed matter physics
Graphene
Contact resistance
Fermi level
Electronic structure
Hückel method
law.invention
Metal
symbols.namesake
law
Ab initio quantum chemistry methods
visual_art
Fermi level shift
Physics::Atomic and Molecular Clusters
symbols
visual_art.visual_art_medium
Subjects
Details
- ISSN :
- 10773118 and 00036951
- Volume :
- 94
- Database :
- OpenAIRE
- Journal :
- Applied Physics Letters
- Accession number :
- edsair.doi...........8c66d3d8fdeb1a11e51d9a02b9df34eb