03 خرداد 1403
رعد چگل

رعد چگل

مرتبه علمی: دانشیار
نشانی: دانشگاه ملایر
تحصیلات: دکترای تخصصی / نانو اپتیک
تلفن: 09166615727
دانشکده: دانشکده علوم پایه

مشخصات پژوهش

عنوان
Investigation of magnetism in aluminum-doped silicon carbide nanotubes
نوع پژوهش مقاله چاپ شده
کلیدواژه‌ها
A. Silicon carbide nanotube; B. Density functional theory; D. Electronic property; D. Magnetic moment
سال
2013
مجله SOLID STATE COMMUNICATIONS
پژوهشگران رعد چگل

چکیده

The effect of aluminum doping on the structural, electronic and magnetic properties of (8,0) silicon carbide nanotube (SiCNT) is investigated using spin-polarized density functional theory. It is found from the calculation of the formation energies that aluminum substitution for silicon atom is preferred. Our results show that the magnetization depends on the substitutional site, aluminum substitution at silicon site does not introduce any spin-polarization, whereas the aluminum substitution for carbon atom yields a spin polarized, almost dispersionless π band within the original band gap.