|
|
EELS spectra (carbon K near-edge fine structures)
from ab-initio calculation (DFT Wien2k code) for metallic SWNTs
with various helicity, with radius ranging from 0.31 to 0.37 nm.
The spectra correspond to a scattering vector either perpendicular
(n) or tangent (t+c) to the nanotube surface. The calculation quantifies
the resulting degree of hybridisation. Ab-initio calculations have
scarcely been applied to chiral nanotubes so far (publications).
|