Half-Metallic Silicon Nanowires: First-Principles Calculations

Abstract

From first-principles calculations, we predict that specific transition metal (TM) atom-adsorbed silicon nanowires have a half-metallic ground state. They are insulators for one spin direction, but show metallic properties for the opposite spin direction. At high coverage of TM atoms, ferromagnetic silicon nanowires become metallic for both spin directions with high magnetic moment and may have also significant spin polarization at the Fermi level. The spin-dependent electronic properties can be engineered by changing the type of adsorbed TM atoms, as well as the diameter of the nanowire. Present results are not only of scientific interest, but also can initiate new research on spintronic applications of silicon nanowires.