Electronic struktures of carbon nanotübes (SWCNT)

The physical and electronic structures of the Single-Walled Carbon Nanotubes (SWCNT?s) indifferent forms have been examined by using an Order-N (O(N)) Tight-Binding MolecularDynamics Simulation (TBMD) method. Electronic structures of SWCNT?s depend on thediameter and chirality of the tube and can be defined by means of chiral vector. Single-WalledCarbon Nanotubes show metallic or semi-conductor behaviors depending on their geometricalparameters.We use the Order-N (O(N)) Tight-Binding Molecular Dynamics Simulation method toexamine physical and electronic structures of Single-Walled Carbon Nanotubes. Our Order-N(O(N)) parallel tight-binding Moleculer Dinamics Simulation method. TB solves theSchrödinger equation by direct matrix diagonalization and uses the simulation time in cubicscaling with the respect to the number of atoms (O (N3)). The Order N ( O(N)) methods solvefor the band energy in real space and make the approximation that only the local environmentcontributes to the bonding, and hence the band energy, of each atom. In this case, the run timewould be linearly scaled with respect to the number of atoms.Some physical characteristics of the Zigzag carbon nanotubes between 9x0 and 21x0, such asFermi energies, energy, band widths, densities of states, eDOS graphs, Fermi-Diracdistribution functions, radiuses and the relations among these have been examined at thetemperatures from low (0.1 K) to high (2100 K); at the electronic temperature of 0.000008 eVand 0.175 eV and at the equilibrium state of the tubes.The ?electronic densities of states? of the carbon nanotubes with different chiralities havebeen comparatively examined to examine the electronic forms of the Single-Walled CarbonNanoTubes; and the results have been compared with the results in the literature.Keywords: Carbon nanotube, O (N) tight binding, moleculer dynamics simulation,temperature, density of states (eDOS), band gaps, electronic properties, distribution.