• 文献标题:   Electronic properties of graphene nanoribbons with line-edge roughness doped with nitrogen and boron
  • 文献类型:   Article
  • 作  者:   WONG KL, CHUAN MW, HAMZAH A, RUSLI S, ALIAS NE, SULTAN SM, LIM CS, TAN MLP
  • 作者关键词:   graphene nanoribbons gnrs, nonequilibrium green s function negf, edge doping, lineedge roughness ler, electronic propertie
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:   Univ Teknol Malaysia
  • 被引频次:   3
  • DOI:   10.1016/j.physe.2019.113841
  • 出版年:   2020

▎ 摘  要

Graphene has enormous potential in nanoelectronics because of its remarkable electronic properties. Pristine graphene is a zero-bandgap semimetal nanomaterial unsuitable for logic devices. Graphene nanoribbons (GNRs), which are strips of graphene, have gained considerable research attention. During the fabrication of GNRs, a number of carbon atoms are removed from the ribbons' edges by cutting processes, thereby causing line-edge roughness, which is common in typical graphene. Substitution doping is a crucial method to adjust the electronic properties of materials. Based on the nearest-neighbour tight-binding method and non-equilibrium Green's function formalism, a GNR tight-binding model is presented. This research focuses on 13-armchair-edged GNRs with line-edge roughness that are doped with nitrogen or boron. Furthermore, the band structure and local density of states of both pristine and non-pristine GNRs are analysed. This study confirms that the line-edge roughness effect causes band-gap reduction. In addition, p-type doping decreases the band gap further than n-type doping. Nevertheless, the line-edge roughness effect is more prominent than the effect caused by doping. The study determines the effects and interaction of non-idealities, namely, substitutional impurities and vacancies, in GNRs having edge roughness.