• 文献标题:   First-principles investigation on bonding formation and electronic structure of metal-graphene contacts
  • 文献类型:   Article
  • 作  者:   RAN QS, GAO MZ, GUAN XM, WANG Y, YU ZP
  • 作者关键词:   ab initio calculation, contact resistance, copper, eht calculation, fermi level, graphene, green s function method
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Tsinghua Univ
  • 被引频次:   77
  • DOI:   10.1063/1.3095438
  • 出版年:   2009

▎ 摘  要

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 p(z)-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.