بررسی خواص الکتریکی و اپتیکی گرافن با زیر لایه BC3

نوع مقاله: مقاله پژوهشی کامل

نویسندگان

1 دانشگاه صنعتی کرمانشاه-گروه فیزیک مهندسی

2 دانشگاه ملایر-دانشکده علوم پایه-گروه فیزیک

چکیده

در این مطالعه، خواص الکتریکی و اپتیکی گرافن با زیر لایه BC3 بررسی می شوند. محاسبات با استفاده از روش امواج تخت بهبود یافته خطی با پتانسیل کامل، بر پایه نظریه تابعی چگالی انجام شده است. محاسبه انرژی کل دو حالت برهم چینش AA و AB نشان می دهد که حالت AB پایدارتر از حالت AA است. محاسبه ساختار نواری نشان می دهد که گرافن با زیرلایه BC3 دارای گاف نواری کوچک به اندازه eV 0.15 در نقطه K است.گاف نواری ایجاد شده با تغییر فاصله بین لایه ای گرافن و BC3 قابل تغییر است. تابع دی الکتریک گرافن با زیر لایه BC3 را می توان به صورت برهم نهی از تابع دی الکتریک گرافن ایزوله و نانو صفحه BC3 تک لایه در نظر گرفت که برهمکنش بین لایه ها باعث جابجایی مکان پیکها می شود. وجودگاف انرژی قابل کنترل در گرافن با زیر لایه BC3، آن را به یک کاندیدای مناسب برای استفاده در ترانزیستورهای اثر میدانی تبدیل می کند.

کلیدواژه‌ها


عنوان مقاله [English]

Investigation of the electro-optical properties of graphene with BC3 substrate

نویسندگان [English]

  • Somayeh Behzad 1
  • Raad Chegel 2
1 Departm ent of Engineering Physic s, Kermanshah Unive rs ity of Te chnology
2 Physics Department, Faculty of Science, Malayer University
چکیده [English]

In this article, the electronic and optical properties of graphene with BC3 substrate are investigated. The calculations are performed on the basis of full potential linearized augmented plane waves in the framework of density functional theory. The total energy calculations of AA and AB configurations show that the AB stacking configuration is more stable than AA stacking configuration. The monolayer graphene has zero band gap while graphene with BC3 substrate has a small band gap of 0.15 eV at K point. The intrinsic properties of graphene such as linear dispersion of electronic bands near the K point and high carrier mobility are retained in the graphene with BC3 substrate. The dielectric function of graphene with BC3 substrate can be considered as the superposition of dielectric function of graphene and BC3 monolayer where the interaction between graphene and monolayer BC3 leads to the shift of peak positions. These results can be used in designing new opto-electronic devices such as field effect transistors.

کلیدواژه‌ها [English]

  • Graphene
  • monolayer BC3
  • Density functional theory
  • Band structure
  • Dielectric function

 

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