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Strong current-polarization and differential negative resistance in FeN3 –embedded armchair graphene nanoribbons
李小飞
Author NameAffiliationE-mail
李小飞 电子科技大学光电信息学院 xf.li@uestc.edu.cn 
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 FeN3 embedded armchair and zigzag graphene nanoribbons (FeN3@AGNRs, FeN3@ZGNRs) with different widths. The first-principles results indicate that the FeN3 induces significant changes on the band structure 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 the FeN3@AGNRs possess a significant spin-dependent differential negative resistance (NDR) and a striking current polarization (nearly 100%) behaviors, due to that the FeN3 introduces two isolated spin-down states, which contribute current with different performances when they couple with different states in armchair-edged ribbons. Our findings suggest that by embedding FeN3 complexes, AGNRs can be used for building spin devices in spintronics. semiconductor.
Key words:  TM-N-C  current polarization  electronic transport  non-equilibrium Green’s function
FundProject:
Strong current-polarization and differential negative resistance in FeN3 –embedded armchair graphene nanoribbons
李小飞
摘要:
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 FeN3 embedded armchair and zigzag graphene nanoribbons (FeN3@AGNRs, FeN3@ZGNRs) with different widths. The first-principles results indicate that the FeN3 induces significant changes on the band structure 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 the FeN3@AGNRs possess a significant spin-dependent differential negative resistance (NDR) and a striking current polarization (nearly 100%) behaviors, due to that the FeN3 introduces two isolated spin-down states, which contribute current with different performances when they couple with different states in armchair-edged ribbons. Our findings suggest that by embedding FeN3 complexes, AGNRs can be used for building spin devices in spintronics. semiconductor.
关键词:  TM-N-C  current polarization  electronic transport  non-equilibrium Green’s function
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