Magnetism, structures and stabilities of cluster assembled TM@Si nanotubes (TM = Cr, Mn and Fe): a density functional study

Abstract

Four different types (Type 1 to Type 4) of empty and transition metal (Cr, Mn and Fe) doped silicon nanotubes have been studied. The calculated band structures and DOS assigned them as metallic, semiconductor, semi-metallic and half-metallic depending upon the combination of the type of nanotube and the transition metal doping.