  Properties of transition metal (TM) doped single wall (8,0) SiC nanotube is
investigated using first principles density functional theory as implemented
within quantum espresso code. The properties studied are electronic, optical,
and hydrogen storage prospect, while the transition metals used in the doping
are Iron, Manganese, and Cobalt. The outcomes show that ferromagnetic ordering
better describes the magnetic order within the doping process. The dopings
result in half-metallic property. Hybridization between TM-3d and C-2p near
Fermi-level region contributes to occurrence of the half-metallicity property.
In addition, optoelectronics character and hydrogen storage capacity of the
tube have appeared to be changed compared to that of the pristine. Dopings have
appeared to result in an expanded range of optoelectronics applications ranging
from photovoltaic effects of far infrared to visible lights. Furthermore, the
tube appears to show a potential for hydrogen energy storage.
