First-Principles Study on Transport Properties of Saturated Single Crystalline GaN Nanotubes

Abstract

Electronic structures and transport properties of the saturated single crystalline GaN nanotubes with 0.92 nm inner diameter and different wall thickness have been investigated by using first-principles and non-equilibrium green's function (NEGF). The result shows, the energy gap of the saturated single crystalline nanotubes changed from 0.2933 to 2.8442 eV. The saturated single crystalline GaN nanotubes have the direct band gap and the band gap decreases with the increase of wall thickness of nanotubes. The electronic density of state and the electronic transmission spectra of two-probe system have pulse-type sharp peak, the change of electronic density of state is in accord with electronic transmission rate. I-V characteristics of two-probe systems reflect that the saturated single-wall GaN nanotube and the saturated single-layer GaN nanotube are semiconducting properties, and the saturated double-layer GaN nanotube appears metallic behavior.