بررسی ظرفیت گرمایی و پذیرفتاری مغناطیسی نانودیسک‌ها و نانوسیم‌های کربنی در تقریب تنگ‌بست

موسوی, حمزه; جلیلوند, سمیرا

doi:10.22055/jrmbs.2021.16986

بررسی ظرفیت گرمایی و پذیرفتاری مغناطیسی نانودیسک‌ها و نانوسیم‌های کربنی در تقریب تنگ‌بست

نوع مقاله : مقاله پژوهشی کامل

نویسندگان

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

10.22055/jrmbs.2021.16986

چکیده

در این مقاله، چگالی حالت‌های الکترونی، ظرفیت گرمایی و پذیرفتاری مغناطیسی نانودیسک‌ها و نانوسیم‌های کربنی با قطرهای مختلف با استفاده از تقریب تنگ‌بست و رهیافت تابع گرین محاسبه می‌گردد. نتایج نشان می‌دهد که با افزایش قطر، نانودیسک‌ها از حالت نیمرسانا به سمت شبه‌فلز میل می‌کنند که با دیگر نتایج نظری مطابقت دارد و نانوسیم‌ها نیز با افزایش قطر، رفتار فلزی از خود نشان می‌دهند. هم‌چنین مشاهده می‌گردد که با افزایش قطر این نانوساختارها، تعداد تکینگی‌های وان-هوف در نمودار چگالی حالت‌ها نیز افزایش می‌یابد. در منحنی ظرفیت گرمایی این دو نانوساختار، قلۀ بی‌هنجاری شاتکی مشاهده می‌شود، که این قله، برای نانودیسک و نانوسیم با بیشترین قطر، ارتفاع کمتری دارد. به دلیل وجود تکینگی‌های وان-هوف در منحنی چگالی حالت‌ها، یک مقدار بیشینه در منحنی‌های پذیرفتاری مغناطیسی مشاهده می‌گردد که منحنی‌ها را به دو بخش دماهای بالا و پایین تقسیم می‌کند. هم‌چنین نتیجه می‌شود که در دماهای پایین، با افزایش قطر نانودیسک‌ها و نانوسیم‌ها، پذیرفتاری مغناطیسی نیز افزایش می‌یابد. این مقادیر بیشینه در منحنی ظرفیت گرمایی و پذیرفتاری مغناطیسی سایر نانوساختارهای گرافینی و شبه گرافینی نیز مشاهده شده است.

کلیدواژه‌ها

موضوعات

ماده چگال

عنوان مقاله [English]

Investigation of Heat Capacity and Magnetic Susceptibility of Carbon Nanodiscs and Nanowires in Tight-binding Approximation

نویسندگان [English]

Hamze Mousavi
Samira Jalilvand

Department of Physics, Faculty of Science, Razi University, Kermanshah, Iran

چکیده [English]

In this study, the density of states, heat capacity, and magnetic susceptibility of carbon nanodiscs and nanowires with different diameters are calculated via the tight-binding approximation and the Green’s function approach. The results indicate that by increasing the diameter, the nanodiscs move from a semi-conductive and tend toward a semi-metal which is in agreement with other theoretical works. Also, increasing the diameter of the nanowires causes them to exhibit a metallic behavior. It is observed that increasing the diameter of these nanostructures increases the number of the Van Hove singularities in the density of states diagrams. A Schottky anomaly peak is seen in the heat capacity curves of these two nanostructures, which for the nanodisc/nanowire with the largest diameter, has a lower height. Due to the presence of the Van Hove singularities in the density of states diagram, a crossover is seen in the magnetic susceptibility curves, which splits these diagrams into two high temperature and low temperature regions. It is also concluded that at low temperatures, increase in the diameter of the nanodiscs and nanowires increases the magnetic susceptibility. These maximum values are also observed in the heat capacity and magnetic susceptibility curves of other graphene and graphene-like nanostructures.

کلیدواژه‌ها [English]

Carbon nanodiscs
Carbon nanowires
Tight-binding approximation
Green's function approach
Heat capacity
Magnetic susceptibility

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