First principles design of divacancy defected graphene nanoribbon based rectifying and negative differential resistance device
First principles design of divacancy defected graphene nanoribbon based rectifying and negative differential resistance device
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DOI：
10.1063/1.4929576
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发表时间：
2015-08-01
期刊：
影响因子：
1.6
通讯作者：
Das, G. P.
中科院分区：
文献类型：
--
作者：
Chakrabarty, Soubhik;Wasey, A. H. M. Abdul;Das, G. P.
利用密度泛函理论和非平衡绿色函数方法，研究了555-777双空位（DV）缺陷扶手椅型石墨烯纳米带（AGNR）的电子结构以及由一个缺陷电极和一个N掺杂电极构成的AGNR基双端器件的输运性质.将555-777 DV缺陷引入AGNR导致pi和pi* 带向更高能量值移动，表明费米能级向下移动。在缺陷和N掺杂的AGNR的结上观察到了类似于传统p-n结的势垒的形成。该双端器件具有类似二极管的特性，在较宽的偏置电压范围内具有较高的整流效率。该器件还显示出强大的负微分电阻，具有非常高的峰谷比。转移的电极能量状态和修改的传输函数与外加偏压进行了分析，以获得洞察的非线性和非对称行为的电流-电压特性。还讨论了输运性质随带宽度的变化。(C)2015年作者。
We have studied using density functional theory and non-equilibrium Green's function based approach, the electronic structures of 555-777 divacancy (DV) defected armchair edged graphene nanoribbons (AGNR) as well as the transport properties of AGNR based two-terminal devices constructed with one defected electrode and one N doped electrode. Introduction of 555-777 DV defect into AGNR results in shifting of the pi and pi* bands towards the higher energy value indicating a downward shift of the Fermi level. Formation of a potential barrier, analogous to that of conventional p-n junction, has been observed across the junction of defected and N-doped AGNR. The two terminal devices show diode like property with high rectifying efficiency for a wide range of bias voltages. The devices also show robust negative differential resistance with very high peak-to-valley ratio. Shift of the electrode energy states and modification of the transmission function with applied bias have been analyzed, in order to gain an insight into the nonlinear and asymmetric behavior of the current-voltage characteristics. Variation of the transport properties on the width of the ribbons has also been discussed. (C) 2015 Author(s).