Dereli G., Vardar N., Eyecioglu O.
Yildiz Technical University, TR
Keywords: band gap, carbon nanotubes, electronic density of states, O(N) tight-binding molecular dynamics
Electronic structure of (13,0) and (15,0) zig-zag single wall carbon nanotubes (SWCNTs) under uniaxial strain are studied using order N, tight binding molecular dynamic (O(N) TBMD) simulation code designed by Dereli et.al. Total energy and Fermi energy levels are obtained as functions of strain. Band gap calculated from behavior of electronic density of states near fermi energy level for each strain values. The energy band gaps of these carbon nanotubes are modified by compressive and tensile strain and they exhibit semiconductor – metal and metal – semiconductor transitions.
Journal: TechConnect Briefs
Volume: 1, Nanotechnology 2010: Advanced Materials, CNTs, Particles, Films and Composites
Published: June 21, 2010
Pages: 292 - 295
Industry sector: Advanced Materials & Manufacturing
Topic: Carbon Nano Structures & Devices