The electronic properties of the interface between metallic doped zigzag graphene nanoribbons and perfect graphene nanoribbons are investigated. The density functional based tight-binding approach and a non-equilibrium Green function method are employed for our calculations. The atoms of Ni, Co, and Fe are used as doping atoms. The graphs of current–voltage, density of states, electron density, transmission spectrum, and rectification ratio are obtained. The results show that the bond lengths around the atoms of Ni, Co, and Fe are increased. Moreover, it is observed that for the graphene-based nanodevice the curves of current–voltage are linear and symmetric when no impurity exists and with the effect of impurities the curves are non-linear and asymmetric. While Ni, Co, and Fe impurities are applied into the systems we found that the maximum electron densities are located around the impurities of Ni and the current is decreased. The density of states and transmission spectrum are also examined for different systems. It is found that for certain amount of energies some resonances occur for the current, and the atoms at the edge of nanoribbon are mostly responsible for the transfer of the electrons. The obtained results can be of interest for the construction of nanoelectronic devices and can have practical applications.

中文翻译：

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金属掺杂的锯齿形石墨烯和原始石墨烯纳米带之间的界面的电子性质

研究了金属掺杂的锯齿形石墨烯纳米带和完美石墨烯纳米带之间的界面的电子性能。基于密度泛函的紧密绑定方法和非平衡格林函数方法被用于我们的计算。Ni，Co和Fe的原子用作掺杂原子。获得了电流-电压，状态密度，电子密度，透射光谱和整流比的图表。结果表明，Ni，Co和Fe原子周围的键长增加。此外，可以观察到，对于基于石墨烯的纳米器件，当不存在杂质时，电流-电压曲线为线性和对称的，并且在杂质的影响下，该曲线为非线性和不对称的。倪Ni 将Fe杂质应用到系统中，我们发现最大电子密度位于Ni杂质周围，并且电流减小。还检查了不同系统的状态密度和传输频谱。发现对于一定量的能量，电流会发生一些共振，并且纳米带边缘的原子主要负责电子的转移。获得的结果对于纳米电子器件的构造可能是有意义的，并且可以具有实际应用。纳米带边缘的原子主要负责电子的转移。获得的结果对于纳米电子器件的构造可能是有意义的，并且可以具有实际应用。纳米带边缘的原子主要负责电子的转移。获得的结果对于纳米电子器件的构造可能是有意义的，并且可以具有实际应用。