Abstract

The influence of geometry and electrical properties of Stone-Wales (SW) defects and an applied electric field on bilayer zigzag silicene nanoribbons (ZSiNRs) were investigated using the self-consistent charge density functional tight-binding (SCC-DFTB) method. The results show that concave deformation occurs at SW defects, leading to varying degrees of disruption in the original symmetrical structure. The overall stability of the marginal Stone-Wales (MSW) nanoribbons surpasses that of the central Stone-Wales (CSW) nanoribbons, SW-II type defects are prone to form in bilayer nanoribbons. The band gap of MSW defective nanoribbons expands significantly, realizing the transition from metallic to semi-metallic and semi-conductor properties. The electrons are transferred from the inner to the outer side of the nanoribbons, with a higher prevalence of defect nanoribbons compared to those that are perfect. The electric field intensity significantly alters the properties of both MSW-I and MSW-II defective nanoribbons.

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