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Green's function calculations for semi-infinite carbon nanotubes

Publication Type:

Journal Article


Phys. Status Solidi B (Germany), Volume 243, Number 2, p.442 - 8 (2006)



carbon nanotubes;electronic density of states;Green's function methods;tight-binding calculations;


In the modeling of nanoscale electronic devices, the non-equilibrium Green's function technique is gaining increasing popularity. One complication in this method is the need for computation of the "self-energy" functions that account for the interactions between the active portion of a device and its leads. In the one-dimensional case, these functions may be computed analytically. In higher dimensions, a numerical approach is required. In this work, we generalize earlier methods that were developed for tight-binding Hamiltonians, and present results for the case of a carbon nanotube


nonequilibrium Green's function calculations;semiinfinite carbon nanotubes;nanoscale electronic devices;selfenergy functions;tight-binding Hamiltonians;C;