The electronic properties of Gallium nitride nanotubes

Electronic properties of armchair GaN nanotubes are investigated by using ab initio density functional theory. By calculating binding energy in terms of gallium-nitride bond length, the optimized bond lengths have obtained. We found the optimized bond lengths for (5,5), (6,6), (7,7) and (8,8) are 1.88 A0 while for both (9,9) and (10,10) it is 1.84 A0. The semiconducting energy gap of the optimized systems have been calculated, we found for (5,5), (6,6) and (7,7) by increasing nanotube diameter energy gap is decreased from 1.115 (eV) to 0.789 (eV), while for (8,8), (9,9) and (10,10) it is increased from 1.251 (eV) to 1.523 (eV). For optimized bond lengths, the calculated band structures of GaN nanotubes show an indirect energy gap.

کلیدواژه ها:

Density Functional Theory ، GaN Nanotubes ، Density of States