▎ 摘　　要

Using density functional theory, the structural stabilities, electronic and magnetic properties of Fe-n (n = 3-6) clusters absorbed on defect armchair graphene nanoribbons are systematically investigated. We found that such systems have high stabilities and large magnetic moments. From n = 3, the binding energies are very important. This can be explained by the fact that a triangularization phenomenon between iron atoms and also more bonds with neighboring carbon atoms. Fe-3-3V-AGNR exhibits a half-metal behavior with 61% spin polarization. Other doped structures (n = 4-6) exhibit semiconductor behavior.