GROUP THEORY SYMBOL

GTTubeStructure

GTTubeStructure[n,m,cluster,ncell,ndistance]
creates a (n,m) single wall carbon nanotube. cluster has to be a sufficiently large part of a graphene sheet, which will be rolled up. The finite tube contains ncells unit cells. ndistance is an integer that sets the nth distance that appears in the tube to be used as maximum bond length.

DetailsDetails

  • The single wall carbon nanotube will be constructed in three steps. From (n,m) the parameters for the construction of the tube will be found with GTTubeParameters. In the next step the atoms forming the unit cell of the nano tube will be cut out of cluster. After the construction of the unit cell the final tube, containing ncell unit cells will be constructed. In the construction of the nanotubes a lattice constant is used.
  • The following options can be given:
  • GOBondsTruePlots bonds between atoms
    GOLattice1Rescales the lattice constant
    GOPlotTrueDecides if the cluster is plotted
    GOVerboseFalseControls the output of additional information
  • See: R. Saito, G. Dresselhaus, M.S: Dresselhaus, Physical Properties of Carbon Nanotubes, Imperial College Press 2007

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Then, the honeycomb lattice will be constructed.

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Construction of one unitcell of a (5,0) single wall nanotube. For the construction of the tube we inclease the cluster size.

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(Remark: Setting the lattice constant to 1.0 forces numerical evaluations internally)

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Options  (3)Options  (3)

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