Electronic properties of peanut-shaped boron nitride nanotube: density functional theory

In our study, we create peanut-shaped boron nitride nanotubes by introducing Stone–Wales defects and applying uniaxial tensile strain. We carefully examine the structural and electronic properties by systematically applying different strain levels along the nanotubes' axial direction, both before and after introducing the defects. Our results reveal that Stone–Wales defects have a notable impact on the bond lengths and bond angles within the nanotubes. Furthermore, we conduct a detailed analysis of the band structures for both pristine nanotubes and those with Stone–Wales defects under varying strain conditions. Our findings demonstrate a clear correlation between the changes in the band structures and the density of state diagrams. Importantly, the introduction of Stone–Wales defects induces the appearance of new energy states within the band gap, leading to a significant reduction in the band gap size. Through our calculations, we provide clear evidence that the electronic properties of the nanotubes are distinctly affected by the presence of Stone–Wales defects and the application of tensile strain.