• 文献标题:   Graphene based single molecule nanojunction
  • 文献类型:   Article
  • 作  者:   CHOWDHURY R, ADHIKARI S, REES P
  • 作者关键词:   graphene fragment, abinitio, singleelectron transistor, coulomb blockade
  • 出版物名称:   PHYSICA BCONDENSED MATTER
  • ISSN:   0921-4526 EI 1873-2135
  • 通讯作者地址:   Swansea Univ
  • 被引频次:   9
  • DOI:   10.1016/j.physb.2011.12.101
  • 出版年:   2012

▎ 摘  要

We introduce the ab-initio framework for zigzag-edged graphene fragment based single-electron transistor (SET) operating in the Coulomb blockade regime. Graphene is modeled using the density-functional theory and the environment is described by a continuum model. The interaction between graphene and the SET environment is treated self-consistently through the Poisson equation. We calculate the charging energy as a function of an external gate potential, and from this we obtain the charge stability diagram. Specifically, the importance of including re-normalization of the charge states due to the polarization of the environment has been demonstrated. (C) 2011 Elsevier B.V. All rights reserved.