The structural, electronic and magnetic properties of iron nanowires with different diameters

The electronic structure of iron nanowires with transverse dimensions up to 9 angstrom was calculated using the density functional theory methods. The calculations were carried out taking into account not only the transverse but also the longitudinal optimization of the structural parameters of nanowires. It was shown that the magnetic moments of Fe atoms, on average, decrease with increasing the transverse dimensions of the nanowires and increase with the distance from the nanowire axis. Giant magnetic anisotropy energy was obtained for Fe-1 and Fe-9 structures. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4770509]