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The complex band structure for armchair graphene nanoribbons
Authors:Zhang Liu-Jun and Xia Tong-Sheng
Institution:School of Electronic Information Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100191, China;School of Electronic Information Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100191, China
Abstract:Using a tight binding transfer matrix method, we calculate the complex band structure of armchair graphene nanoribbons. The real part of the complex band structure calculated by the transfer matrix method fits well with the bulk band structure calculated by a Hermitian matrix. The complex band structure gives extra information on carrier's decay behaviour. The imaginary loop connects the conduction and valence band, and can profoundly affect the characteristics of nanoscale electronic device made with graphene nanoribbons. In this work, the complex band structure calculation includes not only the first nearest neighbour interaction, but also the effects of edge bond relaxation and the third nearest neighbour interaction. The band gap is classified into three classes. Due to the edge bond relaxation and the third nearest neighbour interaction term, it opens a band gap for N=3M-1. The band gap is almost unchanged for N=3M+1, but decreased for N=3M. The maximum imaginary wave vector length provides additional information about the electrical characteristics of graphene nanoribbons, and is also classified into three classes.
Keywords:armchair graphene nanoribbons  complex band structure  edge bond relaxation  third nearest neighbour interaction
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