• Advances in nano research
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• v.15 no.5
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• pp.385-399
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• 2023

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.

• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.324-329
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• 2015

First-principles investigations on the hybrid one dementional hexagonal hybrboron-nitride nano ribbons (BNNRs) with a armchair graphene nano-ribbons(AGRNRs), are presented. Electronics properties of the mixed armchair BNC nano-ribbon (BNCNRs) structure show control of a band gap on all cases at the special K-point. And we have studied, the band gap is direct in all cases. The band gap of mixed ABNCNRs could be divided into three groups (${\Delta}3p$, ${\Delta}3p+1$ and ${\Delta}3p+2$) and decrease with the increase of the width. Also these results show similar to the AGNRs case. Different from the band gap value ordering of AGNRs (${\Delta}3p+1$ > ${\Delta}3p$ > ${\Delta}3p+2$), the ordering of ABNCNRs is ${\Delta}3p$ > ${\Delta}3p+1$ > ${\Delta}3p+2$. The discrepancy may come from the differences between the edges of AGRNRs and the boundaries of hybrid BNCNRs. In addition, the bandgap of ABNCNRs are much smaller than those of the corresponding AGNRs. Our results show that the origin of band gap for BNCNRs with armchair shaped edges arises from both quantum confinement effect of the edges. These results similar to thecase of AGNRs. These properties of hybrid BN/C nano-ribbon structure may offer suitable bandgap to develop nnanoscale electronics and solar cell beyond individual GNRs and BNNRs.