Three-dimensional calculation of field electron energy distributions from open hydrogen-saturated and capped metallic (5,5) carbon nanotubes

Mayer, A.; Miskovsky, N. M.; Cutler, P. H.
November 2001
Applied Physics Letters;11/12/2001, Vol. 79 Issue 20, p3338
Academic Journal
We present three-dimensional simulations of field emission from open and capped (5,5) carbon nanotubes, with consideration of hydrogen saturation of the open structure. The transfer-matrix methodology used for the calculations reproduces appropriate band-structure effects due to the periodic repetition of a basic unit of the nanotubes and the use of Bachelet pseudopotentials. The total-energy distributions of field-emitted electrons contain peaks, which are related to standing waves in the shell of the nanotubes and to resonant states at the apex of the closed structure. These peaks move to lower energies with increasing electric field. The results indicate that field emission is more efficient with the open structure and that hydrogen saturation of the dangling bonds results in a further enhancement of the current.© 2001 American Institute of Physics.


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