بررسی خواص ساختاری، الکترونی و ترابردی نانولوله‌های III-V با استفاده از تئوری تابعی چگالی

کمالیان, منیر

doi:10.22055/jrmbs.2021.17273

بررسی خواص ساختاری، الکترونی و ترابردی نانولوله‌های III-V با استفاده از تئوری تابعی چگالی

نوع مقاله : مقاله پژوهشی کامل

نویسنده

منیر کمالیان

گروه فیزیک، دانشکده علوم پایه، دانشگاه آزاد اسلامی واحد یادگار امام خمینی (ره) شهرری، تهران، ایران

10.22055/jrmbs.2021.17273

چکیده

در این مقاله خواص ساختاری، الکترونی و ترابردی نانولوله‌های زیگزاگ (0و 5) بورون نیتراید (BN)، گالیم آرسناید (GaAs)، گالیم نیتراید (GaN)، گالیم فسفاید (GaP)، ایندیوم نیتراید (InN) و ایندیوم فسفاید (InP) با استفاده از تئوری تابعی چگالی (DFT) ترکیب شده با فرمالیزم تابع گرین غیر تعادلی (NEGF) توسط نرم افزار SIESTA مورد مطالعه قرارگرفته شده است. ساختار باندی الکترونی، چگالی حالات (DOS)، گاف انرژی، مشخصه جریان ولتاژ (I-V) و منحنی ترابرد (dI/dV) این ساختارها تحت شرایط بایاس پائین مورد بررسی قرار گرفت، نتایج بدست آمده ماهیت نیمه‌هادی این ساختارها را تأیید می-نماید. در بین این ساختارها، نانولوله زیگزاگ (0و 5) گالیم فسفاید (GaP) باند گاف انرژی غیر مستقیم را نشان داده است که این ساختار را مناسب برای بکارگیری در نمایشگرهای رنگی می‌سازد در عوض نانولوله زیگزاگ (0و 5) گالیم آرسناید (GaAs) علاوه بر باند گاف انرژی کوچکتر و چگالی حالات بیشتر مشخصه مقاومت دیفرانسیلی منفی(NDR) از خود نشان داد بگونه‌ای که می‌تواند کاندیدای مناسبی برای بکارگیری در قطعات اپتوالکترونیکی سرعت بالا، سوئیچ کننده‌های سرعت بالا و نوسانگرهای سرعت بالا باشد.

کلیدواژه‌ها

موضوعات

ماده چگال

عنوان مقاله [English]

Investigation of structural, electronic and transport properties of III-V nanotubes using by Density Functional Theory

نویسنده [English]

Monir Kamalian

Department of Physics, , Faculty of science, Yadegar-e-Imam Khomeini (RAH) Shahr-e-Rey Branch, Islamic Azad University, Tehran, Iran

چکیده [English]

In this study, the structural, electronic and transport properties of the (5, 0) zig-zag BN, GaAs, GaN, GaP, InN and InP nanotubes have been studied using Density Functional Theory (DFT) combined with Non-Equilibrium Green’s Function (NEGF) formalism with SIESTA software. The electronic band structure, density of states (DOS), current-voltage (I-V) characteristics and quantum conductance curves (dI/dV) of these structures were studied under low-bias conditions. The obtained results demonstrate that all of these structures exhibit semiconducting behavior but the (5, 0) zig-zag GaP nanotube has an indirect band gap which makes it suitable to use for full color displays. Instead the (5, 0) zig-zag GaAs nanotube has a smaller band gap, the highest value of the electron density of states and it showed the amazing property of Negative Differential Resistance (NDR). Therefore, it is an important candidate to use in high-speed optoelectronic devices, high-speed switching devices and high frequency oscillators.

کلیدواژه‌ها [English]

III-V Compounds
Nanotube
Density Functional Theory (DFT)
Negative Differential Resistance (NDR)
SIESTA Software

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