• 文献标题:   An investigation of the role of line defects on the transport properties of armchair graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   GUPTA A, SARKAR N
  • 作者关键词:   line defect, armchair graphene nanoribbon, selfconsistent negf procedure, transmission function, band structure
  • 出版物名称:   APPLIED PHYSICS AMATERIALS SCIENCE PROCESSING
  • ISSN:   0947-8396 EI 1432-0630
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1007/s00339-022-05562-5
  • 出版年:   2022

▎ 摘  要

Graphene nanoribbons (GNRs) are narrow strips of graphene which show interesting electronic properties. The occurrence of defects (vacancy, line, impurity) in GNR can alter these properties. This work investigates the role of line defects on transmission probability for AGNR (armchair) for Ny = 3n, Ny = 3n + 1, and Ny = 3n + 2 systems. It is observed that the bandgap of these AGNRs can be tailored by inducing one and multiple line defects. The effect of defect position of the line defects in the above-mentioned AGNR systems is studied within a framework of a non-interacting tight-binding approach. The energy band diagrams (E-k diagrams) for these systems with one and multiple line defects are plotted and analyzed. Also, the two-terminal electron transport of these AGNRs with one and multiple line defects is obtained by using the non-equilibrium Green's function (NEGF) methodology. This work opens up the possibility of controlling the bandgaps of AGNRs through multiple line defects for device applications.