The structural and density state calculation of B Nitrogen doped silicene nano flake
محورهای موضوعی : فصلنامه نانوساختارهای اپتوالکترونیکی
Somaieh Ahmadi
1
(Department of Physics, Imam Khomeini International University, Qazvin, Iran)
Mohammad Hadi Ramezani
2
(Department of Physics, Imam Khomeini International University, Qazvin, Iran)
کلید واژه: Boron Impurity, Nano flake, Nitrogen Impurity, Silicene,
چکیده مقاله :
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 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.
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