• 文献标题:   The influence of Gaussian strain on sublattice selectivity of impurities in graphene
  • 文献类型:   Article
  • 作  者:   LAWLOR JA, ROCHA CG, TORRES V, LATGE A, FERREIRA MS
  • 作者关键词:   graphene, electronic, strain, doping, band gap
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:   Trinity Coll Dublin
  • 被引频次:   2
  • DOI:   10.1088/0953-8984/28/23/235001
  • 出版年:   2016

▎ 摘  要

Among the different strategies used to induce the opening of a band gap in graphene, one common practice is through chemical doping. While a gap may be opened in this way, disorder-induced scattering is an unwanted side-effect that impacts the electron mobility in the conductive regime of the system. However, this undesirable side effect is known to be minimised if dopants interact asymmetrically with the two sublattices of graphene. In this work we propose that mechanical strain can be used to introduce such a sublattice asymmetry in the doping process of graphene. We argue that a localised out-of-plane deformation applied to a graphene sheet can make one of the graphene sublattices more energetically favourable for impurity adsorption than the other and that this can be controlled by varying the strain parameters. Two complementary modelling schemes are used to describe the electronic structure of the flat and deformed graphene sheets: a tight-binding model and density functional theory. Our results indicate a novel way to select the doping process of graphene through strain engineering.