Magnetic and electronic properties of Fe-filled single-walled carbon nanotubes on metal surfaces

We investigated the magnetic and electronic properties of Fe-filled single-walled carbon nanotubes (SWNTs) on Ni(1 1 1) and Cu(1 1 1) using spin-polarized density functional theory-based calculations. We found that the SWNTs could transform from tube into arch when Fe was placed inside SWNT near the metal surfaces. We also examined the Fe–Fe interaction in terms of its ferromagnetic/antiferromagnetic states.