Abstract

Abstract We have applied first principles calculations to investigate the effect of the uniaxial tensile strain on the mechanical and electronic properties of hexagonal zigzag boron nitride nanoribbons (h-ZBNNRs) with embedded 558 linear defect (LD). Our calculations indicate that 558-LD induces a larger decrease in the energy gap if compared to pristine (h-ZBNNRs). In addition, we have shown that the effect of strain displays most efficiency to tune the energy gap than on pristine 558-LD. Also, we have obtained the Young's modulus through two different approaches.

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