Open AccessElectronic and transport properties of armchair graphene nanoribbons with defects
Author(s) -
Yu Zhang,
Wenjing Xu,
Guangjie Liu,
Jinlong Zhu
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1676/1/012123
Subject(s) - condensed matter physics , density functional theory , graphene nanoribbons , non equilibrium thermodynamics , graphene , formalism (music) , fermi level , materials science , band gap , fermi energy , electronic structure , density of states , nanotechnology , physics , quantum mechanics , art , musical , visual arts , electron
Density-functional theory (DFT) in combination with the nonequilibrium Green’s function formalism is performed to study the electronic and transport properties of armchair graphene nanoribbons with defects. The results show that the electronic and transport properties vary with different type of defects. The binding energy indicate that single-defect AGNRs are the most stable structure and line-defect AGNRs are the most unstable structure. The transmission spectra show that the defective AGNRs become disorder and the value decreases. The energy gap at the Fermi level become wider. These results would guide the experiments in real applications.