Abstract
Motivated by the recent advances of transition-metal-nitrogen-carbon (TM-N-C) materials in catalysis, we investigate the electronic structure and transport properties of FeN $_3$ -embedded armchair and zigzag graphene nanoribbons (FeN $_3$ @AGNRs, FeN $_3$ @ZGNRs) with different widths. The first-principles results indicate that the FeN $_3$ induces significant changes on the band structures of both ZGNRs and AGNRs, making the resultant systems quite different from the pristine ones and own room-temperature stable ferromagnetic (FM) ground states. While only FeN $_3$ @AGNRs possess a significant spin-dependent negative differential resistance (NDR) and a striking current polarization (nearly 100\%) behaviors, due to that FeN $_3$ introduces two isolated spin-down states, which contribute current with different performances when they couple with different frontier orbits. It is suggested that by embedding FeN $_3$ complexes, AGNRs can be used to build spin devices in spintronics.
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