GroupTheory`

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.

Details and Options

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:

GOBonds	True	Plots bonds between atoms
GOLattice	1	Rescales the lattice constant
GOPlot	True	Decides if the cluster is plotted
GOVerbose	False	Controls the output of additional information

See: R. Saito, G. Dresselhaus, M.S: Dresselhaus, Physical Properties of Carbon Nanotubes, Imperial College Press 2007

Examples

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Basic Examples (1)

First load the package:

Then, the honeycomb lattice will be constructed.

For the construction of a (5,0) single wall nanotube a large cluster is required to construct several unit cells.

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

Options (3)

GOBonds (1)

The drawing of the bonds can be switched off.

GOPlot (1)

A plot is the standard output.

It is also possible to choose a list as output. The first part of the list contains the positions of the atoms in the tube and the second part is the graphics object.

Positions of the atoms:

Plot the nanotube.

GOVerbose (1)

In general the list of the parameters from GTTubeParameters and the list of distances are not provided.

The information can be switched on.