Hydrogen-induced magnetism in carbon nanotubes

Abstract

Spin-polarized density functional theory is used to investigate hydrogen-induced magnetism in single-walled carbon nanotubes (SWNTs). Hydrogen trapped at a carbon vacancy can trigger delocalized $\pi$ electron spin polarization on semiconducting zigzag SWNTs. Hydrogen pinned by a carbon adatom on the surface of the SWNT can induce spin polarization localized at the carbon adatom, independent of the diameter and chirality of the tube.