electronic conductance modulation of armchair graphyne nanoribbon by twisting deformation

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 selfconsistent 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.