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...
Main Authors: | , , |
---|---|
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 |
_version_ | 1797740802336620544 |
---|---|
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. |
first_indexed | 2024-03-12T14:17:38Z |
format | Article |
id | doaj.art-98e094274eaa455591499875f248ad51 |
institution | Directory Open Access Journal |
issn | 2423-7361 2538-2489 |
language | English |
last_indexed | 2024-03-12T14:17:38Z |
publishDate | 2023-05-01 |
publisher | Islamic Azad University, Marvdasht Branch |
record_format | Article |
series | Journal of Optoelectronical Nanostructures |
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 |
work_keys_str_mv | AT somayehfotoohi electronicconductancemodulationofarmchairgraphynenanoribbonbytwistingdeformation AT mansourehpashangpour electronicconductancemodulationofarmchairgraphynenanoribbonbytwistingdeformation AT saeedhajinasiri electronicconductancemodulationofarmchairgraphynenanoribbonbytwistingdeformation |