RECONSTRUCTION OF DIVACANCY IN ZIGZAG-BUCKLED SILICENE NANORIBBONS

Abstract

In this study, we use a tight binding model to investigate structural and electronic changes in zigzag-buckled silicene nanoribbons (ZBSiNRs) with two vacancies at different positions. We divide the defects into two categories based on a difference in geometric properties. The results show that the first- and second-order interaction parameters of two atoms of the same type play an important role in the electronic properties of this material. Vacancies near the edge have a stronger effect than those near the center of the ribbons. We further show that each type of divacancy will give a different result under the influence of a perpendicular electric field. This is a favorable condition for controlling the conductive state of materials in future applications in the semiconductor and thermoelectric industries.

Keywords

• Buckled silicene nanoribbons
• Divacancy
• Electric field
• Electronic structure
• Tight binding.