شماره ركورد كنفرانس :
4150
عنوان مقاله :
Dielectric susceptibility of phosphorus- doped carbon nanotubes: A first principle study
پديدآورندگان :
Gharbavi Khadijeh k.gharbavi@gmail.com Physics Department
Behbahan branch, Islamic Azad University
Behbahan, Iran ؛
Email: , Dana Sadegh Physics Department
Behbahan branch, Islamic Azad University
Behbahan, Iran
كليدواژه :
carbon nanotubes , phosphorus , dopant , optical susceptibility
عنوان كنفرانس :
اولين كنفرانس ملي مهندسي مواد، متالوژي و معدن
چكيده فارسي :
The optical properties of phosphorus- doped carbon nanotubes (n, 0) (n=4, 6) were simulated using the combination of density functional theory and Non-Equilibrium Green function methods as implemented in SIESTA code. It was found that replacing carbon atoms by phosphorus eventuates in reduction of real part of optical susceptibility and the statics refractive index. Moreover, perfect and doped CNTs (4, 0) suggested to have higher susceptibility due to curvature effects.
