ساختار باندی گرافن بورن نیترید در چارچوب مدل تنگ بست واقعی

نوع مقاله : مقاله پژوهشی کامل

نویسنده

1 گروه فیزیک، دانشکده علوم، دانشگاه رازی، کرمانشاه، ایران

2 گروه فیزیک، دانشکده علوم، دانشگاه ایلام، ایلام، ایران

چکیده

در این مقاله با استفاده از یک مدل تنگ بست واقع گرایانه و دقیق، ساختار الکترونیکی تک لایة گرافن رشد یافته بر بستر یک زیر لایة بورن نیترید، مورد مطالعه قرار گرفته است. برای این منظور با انجام محاسبات مبتنی بر نظریة تابعی چگالی، امکان رشد گرافن بر زیر لایة بورن نیترید در یک شبکة منطبق بر هم، مورد بررسی قرار گرفته است. ساختار الکترونیکی این شبکه از برازش پارامترهای تنگ بست تا همسایة پنجم، با داده‌های تابعی چگالی محاسبه شده است. در این شبکه ساختار الکترونیکی گرافن تا حدود زیادی حفظ شده است. نتایج نشان می‌دهد، اثرات بین لایه‌ای نسبتاً ضعیف است. یک گاف کوچک حدود 2/0 الکترون ولت در اثر معادل نبودن جایگاه‌های کربنی در ساختار گرافنی ایجاد شده است که می‌توان با اعمال یک ولتاژ گیت از آن برای ایجاد ترانزیستورهای اثر میدان استفاده کرد. 

کلیدواژه‌ها

موضوعات

عنوان مقاله [English]

Graphene Boron Nitride electronic structure in the framework of Realistic Tight binding Model

نویسنده [English]

  • Rouhollah Gholami 1 2
1 Department of Physics, Razi University, Kermanshah, Iran |Department of Physics, Ilam University, Ilam, Iran
2 Department of Physics, Razi University, Kermanshah, Iran |Department of Physics, Ilam University, Ilam, Iran
چکیده [English]

Here in this work, an accurate realistic tight binding model has been used to investigate the electronic band structure of graphene on the top of hexagonal boron nitride substrate. Based on the density functional theory (DFT), the possibility of graphene growth on a lattice-matched hexagonal boron nitride substrate has been investigated. Up to fifth neighbor approximation, the electronic band structure of this lattice has been reproduced by fitting the tight binding hopping parameters to the DFT band structure data. Our results show that the interlayer effects are relatively weak and so, the electronic band structure of single-layer graphene is almost preserved. Due to the inequality of the carbon subsites of this system, a small gap is opened at the Dirac points of the graphene band-structure, which can be used to generate field effect transistors

کلیدواژه‌ها [English]

  • Realistic Tight binding Model
  • Bilayers Graphene
  • Boron Nitride

مراجع

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پژوهش سیستم های بس ذره ای
دوره 12، شماره 1 - شماره پیاپی 32
بهار 1401
خرداد 1401
صفحه 51-65

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سابقه مقاله

  • تاریخ دریافت: 22 مهر 1400
  • تاریخ بازنگری: 17 آبان 1400
  • تاریخ پذیرش: 02 آذر 1400

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