Somayeh Fotoohi - Department of Electrical Engineering, Islamshahr Branch, Islamic Azad University, Islamshahr, Iran
Mansoureh Pashangpour - Department of Physics, Islamshahr Branch, Islamic Azad University, Islamshahr, Iran.
Saeed Haji-Nasiri - 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 = ۶, ۷ and ۸ 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= ۰º, ۳۰º, ۶۰º and ۹۰º. The results indicate that ۶ and ۷ α-AGyNRs devices are semiconductor, while ۸ 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 ۱.۲ V is obtained ۶۹.۹۴% for ۷ α-AGyNR device from θ=۰º to θ=۹۰º. 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.

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