Magnetic structures and magnetic device properties of edge-modified armchair-edged graphene nanoribbons

The edge modification of AGNR by the transition metal Mn (AGNR-Mn) and further functionalized with monohydrogenation (AGNR-Mn-H) and dihydrogenation (AGNR-Mn-H2) are considered. In ferromagnetic (FM) state AGNR-Mn-H and AGNR-Mn-H2 are a half-metal with bandgaps 0.46 and 0.97 eV, respectively. Moreover, AGNR-Mn-H2 featuring both the highest energy stability and the stable magnetic ordering are predicted.225