A Study on Structure and Electronic Properties of Single-Wall GaN Nanotubes
Using the first principle method based on density functional theory (DFT), we have studied the stability, structure, and electronic properties in (2 2), (3, 3), (4 4), (5 5), (6 6) armchair and (4 0), (5 0), (6 0) zigzag GaN nanotubes (GaN-NTs). In addition, the radius of N, Ga atoms, buckling separations, band gap and binding energy of (3 3) and (4 0) GaN-NTs in c-axis strain are investigated. We also explore the modification of density of states due to the strain along c-axis orientation. It is found that the strain can change conductive properties of (3 3) and (4 0) GaN-NTs.
Weiguo Pan, Jianxing Ren and Yongguang Li
L. B. Shi and H. K. Yuan, "A Study on Structure and Electronic Properties of Single-Wall GaN Nanotubes", Advanced Materials Research, Vols. 347-353, pp. 3489-3492, 2012