Electronic Conductance Modulation of Armchair Graphyne Nanoribbon by Twisting Deformation

محورهای موضوعی : فصلنامه نانوساختارهای اپتوالکترونیکی

Somayeh 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.

تاریخ دریافت : 1401/11/19 تاریخ پذیرش : 1402/03/15 تاریخ انتشار : 1402/02/11

کلید واژه: α-Graphyne Nanoribbon, Twisting Deformation, Transmission, Molecular Energy Spectrum, Transmission Pathways,

چکیده مقاله :

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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