Abstract
ABSTRACTTheoretical investigations based on density functional theory (DFT) have been performed to reveal the effect of Co impurities on structural stability, magnetic and electronic properties of armchair graphene nanoribbons (AGNR). It is revealed that Co forms stable chemical bonding with host (C) atoms and settled in magnetic ground state. Calculated magnetic moment per Co atom was found to be 1.02–1.67 µB. Moreover, up to ∼70% spin polarization is also predicted which is a function of doping site. Present findings are useful to induce width independent metallicity in AGNR making them a potential candidate for contact/interconnect applications in upcoming nano-devices.
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