Hu Xu et al 2007 Nanotechnology 18 485713 doi:10.1088/0957-4484/18/48/485713
Hu Xu1,2, R Q Zhang1,3,5, Xiaohong Zhang1, A L Rosa4 and Th Frauenheim4
Show affiliationsThe structural and electronic properties of armchair and zigzag ZnO nanotubes were studied using density functional theory with the generalized gradient approximation. It was found that the strain energy required for rolling a ZnO graphitic sheet into a tube is lower than those for BN and GaN nanotubes. Both the armchair and zigzag ZnO nanotubes were found to be direct gap semiconductors with the gaps decreasing with the diameter increase.
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 48 (5 December 2007)
Received 27 July 2007, in final form 26 September 2007
Published 1 November 2007
Hu Xu et al 2007 Nanotechnology 18 485713
Oskar Asvany et al 2009 J. Phys.: Conf. Ser. 192 012010
Viatcheslav Kokoouline et al 2009 J. Phys.: Conf. Ser. 192 012017
E G Thrapsaniotis 2008 J. Phys. A: Math. Theor. 41 205202
S. Ratynskaia et al 2009 Nucl. Fusion 49 122001
Oded Hod et al 2008 J. Phys.: Condens. Matter 20 383201
K Tankeshwar and Sunita Srivastava 2007 Nanotechnology 18 485714
G Sahu et al 2007 Nanotechnology 18 495702
Hilla Friedman et al 2007 Nanotechnology 18 115703
Chen-Hao Ku and Jih-Jen Wu 2007 Nanotechnology 18 505706