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存在周期性势场时扶手椅型石墨烯纳米带电子和光学性质的多轨道紧束缚模型

Multi-orbital tight binding model for the electronic and optical properties of armchair graphene nanoribbons in the presence of a periodic potential.

作者信息

Hieu Nguyen N, Shih Po-Hsin, Do Thi-Nga, Nguyen Chuong V

机构信息

Institute of Research and Development, Duy Tan University, Da Nang 550000, Vietnam.

Faculty of Natural Sciences, Duy Tan University, Da Nang 550000, Vietnam.

出版信息

J Phys Condens Matter. 2021 Feb 18;33(15). doi: 10.1088/1361-648X/abdf01.

Abstract

The influences of an external electric field with uniform or modulated potential on the electronic and optical properties of armchair graphene nanoribbons (GNRs) are explored using the multi-orbital tight-binding Hamiltonian. The interplay between an electric field and interaction between (,,,) orbitals remarkably enriches the main features of band structures and absorption spectra. The applied electric field can notably alter the energy dispersions ofandbands, leading to the deformation of band-edge states, open and close of a band gap, and modification of the Fermi energy. The vertical optical excitations happen among thebands, while their available channels depend on the Fermi level which is controlled by the-edge bands and a finite potential. With the rich and unique properties, GNRs are suitable candidates for applications in the fields of photodetectors, nanoelectronics, and spintronics. The calculated results are expected to be examined by the angle-resolved photoemission spectroscopies and optical spectroscopies.

摘要

利用多轨道紧束缚哈密顿量,研究了具有均匀或调制电势的外部电场对扶手椅型石墨烯纳米带(GNRs)电子和光学性质的影响。电场与(,,,)轨道间相互作用之间的相互作用显著丰富了能带结构和吸收光谱的主要特征。施加的电场可显著改变和能带的能量色散,导致带边态变形、带隙开闭以及费米能的改变。垂直光学激发发生在能带之间,而它们的可用通道取决于由边缘能带和有限电势控制的费米能级。由于具有丰富而独特的性质,GNRs是光探测器、纳米电子学和自旋电子学领域应用的合适候选材料。计算结果有望通过角分辨光电子能谱和光谱学进行检验。

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