Study of Cu-doped silicene nanoribbons in the electric field

Abstract

This work studies copper doping in silicene nanoribbons. The electric field acting on the system has a constant magnitude of 0.4V/Å. The unit lattice studied here consists of twelve silicon atoms and four hydrogen atoms in one unit cell, hydrogen atoms to modify two edges. There are two doped structures studied, the top stucture and the valley structure, each with one substitution doped Cu atom per unit cell. The theory used to study computation here is density functional theory (DFT). The formation energies, state bands and energy regions of the doped system are calculated and plotted. Thanks to the copper doping process and the influence of the electric magnetic field, the system after doping becomes semi-metallic. The top doped structure shows more optimization and stability. In the quest to find new materials with features that match the requirements of practice, this is a promising study. This study lays the groundwork for future applications in electronic technology.