نوع مقاله : ویژه نامه
عنوان مقاله English
نویسندگان English
In the absence of lattice defects, pristine graphene and hydrogen-terminated armchair graphene nanoribbons are non-magnetic materials. The presence of vacancies extremely effect on the magnetic properties and they can produce remarkable spin polarization in these materials. In this study, using first principles calculations based on Kohn-Sham density functional theory (KS-DFT), the effect of the presence of vacancies on magnetic properties and spin polarization of monolayer and bilayer armchair graphene nanoribbons are investigated. The results show that the magnitude of magnetic moments depends on the number and configuration of vacancies, their distance from each other as well as from nanoribbons' edges.
کلیدواژهها English
