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FeN3掺杂扶手椅型石墨烯纳米条带的极强电流极化和微分负导效应

Strong Current-Polarization and Negative Differential Resistance in FeN3-Embedded Armchair Graphene Nanoribbons

  • 摘要: 本文运用第一性原理研究了FeN_3掺杂扶手椅型和锯齿型石墨烯纳米条带的电子结构和输运性质.结果表明,FeN_3掺杂可导致两种类型的条带的能带结构发生显著变化,导致体系具有稳定的室温铁磁基态.但是,只有扶手椅型条带具有明显的负微分电导和极强的电流极化效应(接近100%).这是由于FeN_3掺杂引入孤立的两条自旋向下能级,导致极强的电流极化.同时,它们与自旋向下的不同子能带的耦合强度完全不同,导致体系呈现出负微分电导行为.结果说明,通过FeN_3掺杂扶手椅型石墨烯纳米条带也可用于制备自旋电子学器件.

     

    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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