LAUSR

Abstract The band structure, density of states (DOS), and electrical conductivity (EC) of different configurations of a double-strand poly-GC-poly-AT DNA-like nanowire are investigated within the tight-binding Hamiltonian model and the Green's function formalism. Three different configurations of the double-strand DNA-like nanowire were considered: infinite, finite, and cyclic. The change of behavior in the band structure due to the introduction of dimerization effects of the longitudinal hopping terms was studied. Without dimerization, the DNA-like nanowire behaves as a conductor and with dimerization, a semiconductor behavior was observed. This behavior change was also verified through the calculation of the DOS via the Green's function formalism. The effects of the finite size of the DNA-like nanowire and also the effect of length increase on the EC of the system were studied using Kubo formula. There exists a direct relationship between EC and length of DNA-like nanowire. As length increases, so does the EC of the DNA-like nanowire. This information can be useful in both theoretical research and experimental development of DNA-based molecular electronics.