Advances in nano research

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Electronic properties of graphene nanoribbons with Stone-Wales defects using the tight-binding method

  • M.W., Chuan (Faculty of Electrical Engineering Engineering, Universiti Teknologi Malaysia) ;
  • S.Z., Lok (Faculty of Electrical Engineering Engineering, Universiti Teknologi Malaysia) ;
  • A., Hamzah (Faculty of Electrical Engineering Engineering, Universiti Teknologi Malaysia) ;
  • N.E., Alias (Faculty of Electrical Engineering Engineering, Universiti Teknologi Malaysia) ;
  • S. Mohamed, Sultan (Faculty of Electrical Engineering Engineering, Universiti Teknologi Malaysia) ;
  • C.S., Lim (Faculty of Electrical Engineering Engineering, Universiti Teknologi Malaysia) ;
  • M.L.P, Tan (Faculty of Electrical Engineering Engineering, Universiti Teknologi Malaysia)
  • Received : 2021.08.04
  • Accepted : 2022.10.13
  • Published : 2023.01.25
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Abstract

Driven by the scaling down of transistor node technology, graphene became of interest to many researchers following the success of its fabrication as graphene nanoribbons (GNRs). However, during the fabrication of GNRs, it is not uncommon to have defects within the GNR structures. Scaling down node technology also changes the modelling approach from the classical Boltzmann transport equation to the quantum transport theory because the quantum confinement effects become significant at sub-10 nanometer dimensions. The aim of this study is to examine the effect of Stone-Wales defects on the electronic properties of GNRs using a tight-binding model, based on Non-Equilibrium Green's Function (NEGF) via numeric computation methods using MATLAB. Armchair and zigzag edge defects are also implemented in the GNR structures to mimic the practical fabrication process. Electronic properties of pristine and defected GNRs of various lengths and widths were computed, including their band structure and density of states (DOS). The results show that Stone-Wales defects cause fluctuation in the band structure and increase the bandgap values for both armchair GNRs (AGNRs) and zigzag GNRs (ZGNRs) at every simulated width. In addition, Stone-Wales defects reduce the numerical computation DOS for both AGNRs and ZGNRs. However, when the lengths of the structures increase with fixed widths, the effect of the Stone-Wales defects become less significant.

Keywords

Acknowledgement

This work was supported and funded by the Ministry of Higher Education under the Fundamental Research Grant Scheme (FRGS/1/2021/STG07/UTM/02/3). The authors acknowledge the Research Management Centre (RMC), School of Graduate Studies (SPS), and Faculty of Electrical Engineering (FKE) of Universiti Teknologi Malaysia (UTM) for providing excellent support and stimulating the research environment.

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