Advances in nano research

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Edge perturbation on electronic properties of boron nitride nanoribbons

  • K.L. Wong (Faculty of Electrical Engineering, Universiti Teknologi Malaysia) ;
  • K.W. Lai (Faculty of Electrical Engineering, Universiti Teknologi Malaysia) ;
  • M.W. Chuan (Faculty of Electrical Engineering, Universiti Teknologi Malaysia) ;
  • Y. Wong (Faculty of Electrical Engineering, Universiti Teknologi Malaysia) ;
  • A. Hamzah (Faculty of Electrical Engineering, Universiti Teknologi Malaysia) ;
  • S. Rusli (Faculty of Electrical Engineering, Universiti Teknologi Malaysia) ;
  • N.E. Alias (Faculty of Electrical Engineering, Universiti Teknologi Malaysia) ;
  • S. Mohamed Sultan (Faculty of Electrical Engineering, Universiti Teknologi Malaysia) ;
  • C.S. Lim (Faculty of Electrical Engineering, Universiti Teknologi Malaysia) ;
  • M.L.P. Tan (Faculty of Electrical Engineering, Universiti Teknologi Malaysia)
  • Received : 2020.10.27
  • Accepted : 2023.10.17
  • Published : 2023.11.25
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Abstract

Hexagonal boron nitride (h-BN), commonly referred to as Boron Nitride Nanoribbons (BNNRs), is an electrical insulator characterized by high thermal stability and a wide bandgap semiconductor property. This study delves into the electronic properties of two BNNR configurations: Armchair BNNRs (ABNNRs) and Zigzag BNNRs (ZBNNRs). Utilizing the nearest-neighbour tight-binding approach and numerical methods, the electronic properties of BNNRs were simulated. A simplifying assumption, the Hamiltonian matrix is used to compute the electronic properties by considering the self-interaction energy of a unit cell and the interaction energy between the unit cells. The edge perturbation is applied to the selected atoms of ABNNRs and ZBNNRs to simulate the electronic properties changes. This simulation work is done by generating a custom script using numerical computational methods in MATLAB software. When benchmarked against a reference study, our results aligned closely in terms of band structure and bandgap energy for ABNNRs. However, variations were observed in the peak values of the continuous curves for the local density of states. This discrepancy can be attributed to the use of numerical methods in our study, in contrast to the semi-analytical approach adopted in the reference work.

Keywords

Acknowledgement

The authors express gratitude for the financial support provided by UTM Fundamental Research, UTMFR (Cost Centre No.: Q.J130000.3823.22H76), which facilitated the seamless progression of thi research. Michael Tan extends his appreciation to the UTM Research Management Centre (RMC) for fostering a conducive environment, enabling his results-driven team to produce industry-standard outcomes.

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