International Scholarly Research Network ISRN Nanotechnology Volume 2012, Article ID 416417, 7 pages doi:10.5402/2012/416417 Research Article The Electronic Properties of the Graphene and Carbon Nanotubes: Ab Initio Density Functional Theory Investigation Erkan Tetik,1 Faruk Karadag,˘ 1 Muharrem Karaaslan,2 and Ibrahim˙ C¸ omez¨ 1 1 Physics Department, Faculty of Sciences and Letters, C¸ukurova University, 01330 Adana, Turkey 2 Electrical and Electronic Engineering Department, Faculty of Engineering, Mustafa Kemal University, 31040 Hatay, Turkey Correspondence should be addressed to Erkan Tetik,
[email protected] Received 20 December 2011; Accepted 13 February 2012 AcademicEditors:A.Hu,C.Y.Park,andD.K.Sarker Copyright © 2012 Erkan Tetik et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. We examined the graphene and carbon nanotubes in 5 groups according to their structural and electronic properties by using ab initio density functional theory: zigzag (metallic and semiconducting), chiral (metallic and semiconducting), and armchair (metallic). We studied the structural and electronic properties of the 3D supercell graphene and isolated SWCNTs. So, we reported comprehensively the graphene and SWCNTs that consist of zigzag (6, 0) and (7, 0), chiral (6, 2) and (6, 3), and armchair (7, 7). We obtained the energy band graphics, band gaps, charge density, and density of state for these structures. We compared the band structure and density of state of graphene and SWCNTs and examined the effect of rolling for nanotubes. Finally, we investigated the charge density that consists of the 2D contour lines and 3D surface in the XY plane.