Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation
الموضوعات : فصلنامه نانوساختارهای اپتوالکترونیکیSomayeh Fotoohi 1 , Mansoureh Pashangpour 2 , Saeed Haji-Nasiri 3
1 - Department of Electrical Engineering, Islamshahr Branch, Islamic Azad University,
Islamshahr, Iran
2 - Department of Physics, Islamshahr Branch, Islamic Azad University, Islamshahr, Iran.
3 - Faculty of Electrical, Biomedical and Mechatronics Engineering, Qazvin Branch, Islamic Azad University, Qazvin, Iran.
الکلمات المفتاحية: α-Graphyne Nanoribbon, Twisting Deformation, Transmission, Molecular Energy Spectrum, Transmission Pathways,
ملخص المقالة :
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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