The structural and density state calculation of Boron and Nitrogen doped silicene nano flake

Somaieh Ahmadi, Mohammad Ramezani
2016 Islamic Azad University Journal of Optoelectronical Nanostructures Winter   unpublished
In this paper, we study the effect of single Boron/Nitrogen impurity atom on electronic properties of a silicene nano flake. Our calculations are based on density functional theory by using Gaussian package. Here, one Si atom in silicene nano flake substitutes with a Boron/Nitrogen atom. The results show that substitution of one Si atom with single Boron/Nitrogen atom increases distance of impurity atom with its nearest neighbors and changes hexagonal structure of silicene nano flake. Doping
more » ... no flake. Doping silicene nano flake with a Boron impurity atom makes its structure curved and causes to create a miniband in energy gap, which increases conductance consequently while doping with a Nitrogen atom causes to produce two spin dependent midbands in energy gap which leads to creating a controllable spin dependent conductance with electron energy for silicene nano flake. Therefore, Nitrogen doped silicene nano flake is good material for design of nano electronic and spintronic devices.