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First principles study of structural, phonons and thermal properties of BN and AlN nanosheets

عنوان مقاله: First principles study of structural, phonons and thermal properties of BN and AlN nanosheets
شناسه ملی مقاله: ICNN05_560
منتشر شده در پنجمین کنگره بین المللی نانو و فناوری نانو (ICNN2014) در سال 1393
مشخصات نویسندگان مقاله:

A Hosseini Dehshiri - Department of physics, Islamic Azad University,Qom branch, Qom, Iran
F Kanjouri - Faculty of physics, Kharazmi University, Tehran, Iran
H Tashakori - Department of physics, Islamic Azad University,Qom branch, Qom, Iran

خلاصه مقاله:
In this paper the structural properties, phonons dispersion and the temperature dependence specific heat ofBN and AlN nanosheets are investigated. The phonons spectrum, phonon density of states and thermodynamic propertiesare presented by employing density functional perturbation theory (DFPT) and using generalized gradient approximation(GGA). The calculated frequency band gap for BN and AlN nanosheets is 1. 53

کلمات کلیدی:
nanosheet; AlN; BN; phonon

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/397738/