Developped during the Master 1st year research project, this program calculates the electronic band structure of a carbon nanotube. The program asks for the chiral parameters (n,m) defining the nanotube, and output the data in a file that can be read thanks to Grace or Gnuplot.
The band structure calculation is done on the basis of a tight-binding description of the pz orbitals. All the details of this model can be found in the project manuscript (in French).
Click the link below to download the Fortran source code:
SWNT_bandstructure
A band structure calculated with SWNT_bandstructure: the band structure of the (7,0) carbon nanotube.
Copyright © Pierre Hirel 2009-2024
