Theoretical prediction on aluminum nitride nanotubes

In an effort to search for new tubular nanostructures made of aluminum nitride (AlN), four model compounds, a diamond nanowire (c-C54), a carbon nanotube (h-C54), an AlN nanowire (c-Al27N27) and an AlN nanotube (h-Al27N27), were studied by using first-principle method. A shapely beautiful AlN nanotube with a uniform diameter has been obtained in this work, which even rivals the carbon nanotube. The estimated band gap of this AlN nanotube is larger than that of the corresponding nanowire structure, different from those of carbon nanotubes with respect to diamond nanowires. The AlN nanotubes are expected to find novel applications in the nanotechnology area.