سال انتشار: ۱۳۸۶
محل انتشار: دومین کنفرانس نانوساختارها
تعداد صفحات: ۳
Rostam Moradian – Physics Department, Faculty of Science, Razi University, Kermanshah, Iran
Sam azadi – Nano Science and Nano Technology Research Center, Razi University, Kermanshah, Iran
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.