Abstract
One-dimensional nanostructures such as nanowires (NWs), nanotubes, and nanocables can sometimes show unique physical properties compared to their bulk counterparts owing to their reduced diameter and high aspect ratio. The first-principles density functional-theory based on spin polarized calculations was used to investigate CrSi 2 /SiO 2 nanowires. The CrSi 2 and SiO 2 in bulk are diamagnetic, but the ferromagnetism in CrSi 2 /SiO 2 nanowire has been found. Results showed that the ferromagnetism was from Cr atoms around the interface between SiO 2 and CrSi 2 . As the lattice constants were fixed and unfixed during calculations, the average magnetizations per Cr atom around the interface became 1.02μ B /atom and 1.06μ B / atom, respectively. The asymmetrical bonding-surroundings, causing the exchange interaction, can be the major ferromagnetic source. The effect of roughness and oxygen distribution to magnetization is also considered. © 2013 American Institute of Physics.