Geometry structure, electronic structure and electronic transport properties of saturated hexagonal single crystalline GaN nanowires in the [001] growth direction have been investigated based on generalized gradient approximation (GGA) of density functional theory (DFT) and non-equilibrium green's function (NEGF) method. The results show, there is a contraction of the bond lengths of the saturated GaN nanowires after optimization; the nanowires have direct band gap, and band gap decreases with the increase of the cross section of nanowires; the electronic density of state and electronic transmission spectra of two-probe system have their own pulse-type sharp peaks with almost the same location of electron energy; the curves of I-V characteristics of the three saturated GaN nanowires are symmetric over the entire bias-voltage range, and they are semiconducting.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.