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Quantum electrical transport of n-type and p-type AGNRs junctions
Physica E: Low-dimensional Systems and Nanostructures ( IF 3.3 ) Pub Date : 2020-06-23 , DOI: 10.1016/j.physe.2020.114324
Maryam Masoudi , Aliasghar Shokri , M.S. Akhoundi Khezrabad

By first-principles calculations, we study quantum electrical transport properties of four nanojunctions based on armchair graphene nanoribbons (AGNRs) in the presence of nitrogen (N) and boron (B) atoms. The theoretical calculations perform within the non-equilibrium Green’s function (NEGF) method combined with density functional theory (DFT). The numerical results show distinct properties, such as converting the system into n-type and p-type semiconductors with several energy gaps due to mid-gap states. These characteristics may be useful in near-infrared photodetectors. By referring to the band structures spectra, we perceive that the effective mass of carriers increases in the doped AGNR systems. Moreover, we calculate the current–voltage characteristic and quantum capacitance of four AGNR nanodevices, theoretically. According to our results, a rectifying effect is observed at low bias voltage, while the threshold voltages depend on the type of doping.



中文翻译:

n型和p型AGNRs结的量子电传输

通过第一性原理计算,我们研究了在存在氮(N)和硼(B)原子的情况下,基于扶手椅状石墨烯纳米带(AGNR)的四个纳米结的量子电输运性质。理论计算是在非平衡格林函数(NEGF)方法与密度泛函理论(DFT)相结合的基础上进行的。数值结果显示出独特的特性,例如将系统转换为由于中间能隙状态而具有多个能隙的n型和p型半导体。这些特性在近红外光电探测器中可能很有用。通过参考能带结构光谱,我们可以看出,在掺杂的AGNR系统中,载流子的有效质量增加了。此外,我们从理论上计算了四个AGNR纳米器件的电流-电压特性和量子电容。根据我们的结果,

更新日期:2020-07-07
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