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

Journal of Optoelectronical Nanostructures

مقاله 5، دوره 2، شماره 1 - شماره پیاپی 4، فروردین و اردیبهشت 2017، صفحه 41-48   

نوع مقاله: Articles

نویسندگان

Somaieh Ahmadi^* ؛ Mohammad Hadi Ramezani

Department of Physics, Imam Khomeini International University, Qazvin, Iran

تاریخ دریافت: 06 دی 1395،  تاریخ بازنگری: 03 بهمن 1395،  تاریخ پذیرش: 27 بهمن 1395 

چکیده

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.

کلیدواژه‌ها

Boron Impurity؛ Nano flake؛ Nitrogen Impurity؛ Silicene

مراجع

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