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Doped defective graphene nanoribbons: a new class of materials with novel spin filtering properties

机译：掺杂缺陷的石墨烯纳米带：具有新型自旋过滤特性的新型材料

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摘要

We present the results of our spin polarized density functional study of the electronic and transport properties of defective graphene nanoribbons doped with boron or nitrogen atoms. We have analysed the formation energy, electronic band structure, magnetic charge density and quantum conductance of the doped defective graphene nanoribbon systems. We have demonstrated the half metallic behaviour of the doped defective graphene nanoribbons. The primary cause of the half metallic behaviour of this particular system is the charge transfer from carbon to dopant atoms. We have also shown that the band gap of the doped defective graphene nanoribbons decreases with the intensity of a transverse electrical field and reaches the state of a spin gapless semiconductor. The current-voltage characteristics of the doped defective graphene nanoribbons show the polarization of the spin current and have high spin filtering efficiencies.
机译：我们提出了对掺杂有硼或氮原子的有缺陷石墨烯纳米带的电子和传输性质进行自旋极化密度泛函研究的结果。我们分析了掺杂缺陷石墨烯纳米带系统的形成能，电子能带结构，电荷密度和量子电导。我们已经证明了掺杂缺陷石墨烯纳米带的半金属行为。该特定系统的半金属行为的主要原因是电荷从碳转移到掺杂剂原子。我们还表明，掺杂缺陷石墨烯纳米带的带隙随横向电场强度的增加而减小，并达到自旋无间隙半导体的状态。掺杂的缺陷石墨烯纳米带的电流-电压特性显示出自旋电流的极化，并且具有高的自旋滤波效率。

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