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Edge perturbation on electronic properties of boron nitride nanoribbons
K.L. Wong,K.W. Lai,M.W. Chuan,Y. Wong,A. Hamzah,S. Rusli,N.E. Alias,S. Mohamed Sultan,C.S. Lim,M.L.P. Tan Techno-Press 2023 Advances in nano research Vol.15 No.5
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.
Chuan, M.W.,Wong, K.L.,Hamzah, A.,Rusli, S.,Alias, N.E.,Lim, C.S.,Tan, M.L.P. Techno-Press 2021 Advances in nano research Vol.10 No.1
Silicene is an emerging two-dimensional (2D) semiconductor material which has been envisaged to be compatible with conventional silicon technology. This paper presents a theoretical study of uniformly doped silicene with aluminium (AlSi3) Field-Effect Transistor (FET) along with the benchmark of device performance metrics with other 2D materials. The simulations are carried out by employing nearest neighbour tight-binding approach and top-of-the-barrier ballistic nanotransistor model. Further investigations on the effects of the operating temperature and oxide thickness to the device performance metrics of AlSi3 FET are also discussed. The simulation results demonstrate that the proposed AlSi3 FET can achieve on-to-off current ratio up to the order of seven and subthreshold swing of 67.6 mV/dec within the ballistic performance limit at room temperature. The simulation results of AlSi3 FET are benchmarked with FETs based on other competitive 2D materials such as silicene, graphene, phosphorene and molybdenum disulphide.
Two-dimensional modelling of uniformly doped silicene with aluminium and its electronic properties
Chuan, M.W.,Wong, K.L.,Hamzah, A.,Rusli, S.,Alias, N.E.,Lim, C.S.,Tan, M.L.P. Techno-Press 2020 Advances in nano research Vol.9 No.2
Silicene is a two-dimensional (2D) derivative of silicon (Si) arranged in honeycomb lattice. It is predicted to be compatible with the present fabrication technology. However, its gapless properties (neglecting the spin-orbiting effect) hinders its application as digital switching devices. Thus, a suitable band gap engineering technique is required. In the present work, the band structure and density of states of uniformly doped silicene are obtained using the nearest neighbour tight-binding (NNTB) model. The results show that uniform substitutional doping using aluminium (Al) has successfully induced band gap in silicene. The band structures of the presented model are in good agreement with published results in terms of the valence band and conduction band. The band gap values extracted from the presented models are 0.39 eV and 0.78 eV for uniformly doped silicene with Al at the doping concentration of 12.5% and 25% respectively. The results show that the engineered band gap values are within the range for electronic switching applications. The conclusions of this study envisage that the uniformly doped silicene with Al can be further explored and applied in the future nanoelectronic devices.