• 文献标题:   Ab initio simulations of metal contacts for graphene-based devices
  • 文献类型:   Article
  • 作  者:   QIN HC, LU WC, BERNHOLC J
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-8979 EI 1089-7550
  • 通讯作者地址:  
  • 被引频次:   2
  • DOI:   10.1063/5.0091028
  • 出版年:   2022

▎ 摘  要

The precise atomic structure of a metal contact significantly affects the performance of nanoscale electronic devices. We use an accurate, DFT-based non-equilibrium Green's function method to evaluate various metal contacts with graphene or graphene nanoribbons. For surface metal contacts not chemically bound to graphene, Ti contacts have lower resistance than those of Au, Ca, Ir, Pt, and Sr. However, as an edge contact, Ti has larger resistance than Au. Bridging O atoms at Ti and Au edge contacts lowers the transmission by over 30%. Published under an exclusive license by AIP Publishing.