TITLE

# First-principles investigation on bonding formation and electronic structure of metal-graphene contacts

AUTHOR(S)
Qiushi Ran; Mingzhi Gao; Ximeng Guan; Yan Wang; Zhiping Yu
PUB. DATE
March 2009
SOURCE
Applied Physics Letters;3/9/2009, Vol. 94 Issue 10, pN.PAG
SOURCE TYPE
DOC. TYPE
Article
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 HÃ¼ckel theory-based non-equilibrium Greenâ€™s function formalism, and one type of contact is shown to have less contact resistance than the other.
ACCESSION #
37043650

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