Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation

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...

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Main Authors: Somayeh Fotoohi, Mansoureh Pashangpour, Saeed Haji-Nasiri
Format: Article
Language:English
Published: Islamic Azad University, Marvdasht Branch 2023-05-01
Series:Journal of Optoelectronical Nanostructures
Subjects:
Online Access:https://jopn.marvdasht.iau.ir/article_5979_2f5b4ed04aad78de50705c1aaf7df915.pdf
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author Somayeh Fotoohi
Mansoureh Pashangpour
Saeed Haji-Nasiri
author_facet Somayeh Fotoohi
Mansoureh Pashangpour
Saeed Haji-Nasiri
author_sort Somayeh Fotoohi
collection DOAJ
description 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.
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spelling doaj.art-98e094274eaa455591499875f248ad512023-08-20T05:10:28ZengIslamic Azad University, Marvdasht BranchJournal of Optoelectronical Nanostructures2423-73612538-24892023-05-0182153110.30495/jopn.2023.31553.12815979Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting DeformationSomayeh Fotoohi0Mansoureh Pashangpour1Saeed Haji-Nasiri2Department of Electrical Engineering, Islamshahr Branch, Islamic Azad University, Islamshahr, IranDepartment of Physics, Islamshahr Branch, Islamic Azad University, Islamshahr, Iran.Faculty of Electrical, Biomedical and Mechatronics Engineering, Qazvin Branch, Islamic Azad University, Qazvin, Iran.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.https://jopn.marvdasht.iau.ir/article_5979_2f5b4ed04aad78de50705c1aaf7df915.pdfα-graphyne nanoribbontwisting deformationtransmissionmolecular energy spectrumtransmission pathways
spellingShingle Somayeh Fotoohi
Mansoureh Pashangpour
Saeed Haji-Nasiri
Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation
Journal of Optoelectronical Nanostructures
α-graphyne nanoribbon
twisting deformation
transmission
molecular energy spectrum
transmission pathways
title Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation
title_full Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation
title_fullStr Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation
title_full_unstemmed Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation
title_short Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation
title_sort electronic conductance modulation of armchair graphyne nanoribbon by twisting deformation
topic α-graphyne nanoribbon
twisting deformation
transmission
molecular energy spectrum
transmission pathways
url https://jopn.marvdasht.iau.ir/article_5979_2f5b4ed04aad78de50705c1aaf7df915.pdf
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AT mansourehpashangpour electronicconductancemodulationofarmchairgraphynenanoribbonbytwistingdeformation
AT saeedhajinasiri electronicconductancemodulationofarmchairgraphynenanoribbonbytwistingdeformation