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杂质掺杂扶手椅型石墨烯纳米带中电子相的修正剪裁与中间态的出现

Modified tailoring the electronic phase and emergence of midstates in impurity-imbrued armchair graphene nanoribbons.

作者信息

Hien Nguyen D, Mirabbaszadeh Kavoos, Davoudiniya Masoumeh, Hoi Bui D, Phuong Le T T, Yarmohammadi Mohsen

机构信息

Laboratory of Magnetism and Magnetic Materials, Advanced Institute of Materials Science, Ton Duc Thang University, Ho Chi Minh City, Vietnam.

Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam.

出版信息

Sci Rep. 2019 Jul 23;9(1):10651. doi: 10.1038/s41598-019-47015-9.

Abstract

We theoretically address the electronic structure of mono- and simple bi-layer armchair graphene nanoribbons (AGNRs) when they are infected by extrinsic charged dilute impurity. This is done with the aid of the modified tight-binding method considering the edge effects and the Green's function approach. Also, the interplay of host and guest electrons are studied within the full self-consistent Born approximation. Given that the main basic electronic features can be captured from the electronic density of states (DOS), we focus on the perturbed DOS of lattices corresponding to the different widths. The modified model says that there is no metallic phase due to the edge states. We found that the impurity effects lead to the emergence of midgap states in DOS of both systems so that a semiconductor-to-semimetal phase transition occurs at strong enough impurity concentrations and/or impurity scattering potentials. The intensity of semiconductor-to-semimetal phase transition in monolayer (bilayer) ultra-narrow (realistic) ribbons is sharper than bilayers (monolayers). In both lattices, electron-hole symmetry breaks down as a result of induced-impurity states. The findings of this research would provide a base for future experimental studies and improve the applications of AGNRs in logic semiconductor devices in industry.

摘要

我们从理论上研究了单层和简单双层扶手椅型石墨烯纳米带(AGNRs)在受到外在带电稀释杂质影响时的电子结构。这是借助考虑了边缘效应的修正紧束缚方法和格林函数方法来完成的。此外,还在完全自洽玻恩近似下研究了主体和客体电子之间的相互作用。鉴于主要的基本电子特征可以从态密度(DOS)中获取,我们重点关注对应于不同宽度晶格的微扰态密度。修正模型表明,由于边缘态不存在金属相。我们发现,杂质效应导致两个系统的态密度中出现带隙中间态,从而在足够强的杂质浓度和/或杂质散射势下发生半导体到半金属的相变。单层(双层)超窄(实际)纳米带中半导体到半金属相变的强度比双层(单层)的更明显。在这两种晶格中,由于诱导杂质态,电子 - 空穴对称性被打破。本研究结果将为未来的实验研究提供基础,并改善AGNRs在工业逻辑半导体器件中的应用。

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