Electronic properties
of carbon nanotubes
All the following calculations were done
with a simple tight-binding model with one
p
orbital per carbon atom. The energies are in units of the hopping integral
which is of the order of 2.6 eV.
Band structure and DOS of a (4,4) metallic
armchair tube.
Band structure and DOS of a (5,0) semiconductiong
zigzag tube.
Transport in doped nanotubes
Picture of a N-P doped (10,0) zigzag
nanotube.
The conductance of the above tube using
a simple approximation to compute its transmission coefficient. The effective
voltage W is the sum of the applied voltage and potential difference at
the junction (internal voltage).
These are the non-linear I-V characteristics
of a few doped nanotubes. The calculated conductance is approximate ...
but one can notice the strong non-linear effect. (High bias results are
incorrect since in this calculation, we have only taken one p orbital per
atom, and therefore the DOS goes back to zero at higher energies.) The
I-W curve is odd with respect to the EFFECTIVE voltage W, but it is a non-symmetric
curve with respect to the applied bias voltage.
Defects (dislocations) in carbon nanotubess
1 Stone-Wales transformation
5 Stone-Wales transformations
10 Stone-Wales transformations
Molecular Dynamics of a streched nanotube at 2000 K after 45 ps.