Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation

Journal of Optoelectronical Nanostructures

مقاله 2، دوره 8، شماره 2 - شماره پیاپی 30، مرداد 2023، صفحه 15-31   

نوع مقاله: Articles

شناسه دیجیتال (DOI): 10.30495/jopn.2023.31553.1281

نویسندگان

Somayeh Fotoohi^{* 1}؛ Mansoureh Pashangpour²؛ Saeed Haji-Nasiri³

¹Department of Electrical Engineering, Islamshahr Branch, Islamic Azad University, Islamshahr, Iran

²Department of Physics, Islamshahr Branch, Islamic Azad University, Islamshahr, Iran.

³Faculty of Electrical, Biomedical and Mechatronics Engineering, Qazvin Branch, Islamic Azad University, Qazvin, Iran.

تاریخ دریافت: 19 بهمن 1401،  تاریخ بازنگری: 04 خرداد 1402،  تاریخ پذیرش: 15 خرداد 1402 

چکیده

Abstract  
The electronic and transport properties of armchair α-
graphyne nanoribbons (α-AGyNRs) are studied using 
density functional theory with non-equilibrium Green 
function formalism. The α-AGyNRs are considered with 
widths N = 6, 7 and 8 to represent three distinct families 
behavior  in presence of twisting. The band structure, 
current-voltage characteristic, transmission spectra, 
molecular energy spectrum, molecular projected self-
consistent Hamiltonian (MPSH), and transmission 
pathways are studied for α-AGyNRs with θ= 0º, 30º, 60º 
and 90º. The results indicate that 6 and 7 α-AGyNRs 
devices are semiconductor, while 8 α-AGyNR device has 
metallic character. Moreover, these behaviors are preserved 
by applying the twist. Our theoretical study shows that the 
electronic  conduction of α-AGyNRs can be tuned by 
twisted deformation. The maximum modulation of 
conductance at 1.2 V is obtained 69.94% for 7 α-AGyNR 
device from θ=0º to θ=90º. The investigation of MPSH 
demonstrates that distribution of charge density get 
localized  on twisting sites which impact on the electron 
tunneling across the scattering region.

کلیدواژه‌ها

α-Graphyne Nanoribbon؛ Twisting Deformation؛ Transmission؛ Molecular Energy Spectrum؛ Transmission Pathways

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