Comparison of ill-nitride nanotubes: Atomistic simulations

Abstract

We have investigated the single-wall boron-, aluminum- and gallium-nitride nanotubes using atomistic simulations based on the Tersoff potential. The Tersoff potential for III-nitride effectively describes the properties of III-nitride nanotubes. Structures, energetic and nanomechanics of III-nitride nanotubes were investigated and compared with each other. Young's moduli of III-N nanotubes were lower than that of CNT. Though the graphite-like sheet formation of AlN was very difficult, since the elastic energy per atom to curve the sheet into cylinder for AlN was very low, if graphite-like sheets of AlN were formed, the extra cost to produce the tubes would be very low.