Transmission Through Carbon Nanotubes With Polyhedral Caps
M. P. Anantram, Liu Yang, Jie Han and T. R. Govindan
The tip of a carbon nanotube can either be open or capped. Methods of
constructing polyhedral caps have been suggested and there has been
recent evidence for the existence of capped nanotubes. Characteristic
features of electron flow through nanotubes is of relevance to both
molecular electronics and experiments using nanotubes tips as a probe.
To the best of our knowledge, there have been no studies of electron
transmission through a nanotube cap, although there have been studies
of the local density of states in a capped nanotube. In this talk, we
calculate electron transmission between polyhedrally capped carbon
nanotubes and a substrate. The main issues we address are:
(a) The relationship between local density of states and transmission
probability through cap atoms.
(b) The effect of localized discrete energy levels in the cap. For a
capped carbon nanotube that is not connected to a substrate, the
localized states do not couple to the coexisting continuum states.
However, close proximity of a substrate causes hybridization between
these groups of states. As a result, new transmission paths open from
substrate states to nanotube continuum states via the localized states
in the cap. We show that the interference between various paths gives
rise to transmission antiresonances with the minimum equal to zero at
the energy of the localized state.
(c) The effect of defects on tunnel current or transmission. The
presence of defects that are located close to the cap transforms
antiresonances into resonances. Depending on the spatial position of
defects, these resonant states are capable of carrying a large current.
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