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

The electronic structure of iron nanowires of transverse dimensions up to 9 A was calculated by the density functional theory methods. The calculations were carried out by taking into account not only the transverse but the longitudinal optimization of structural parameters as well. It is shown, that the magnetic moments of the Fe atoms decrease on average with increasing transverse dimensions of the nanowires and increase with increasing the distance from the nanowire axis. A giant magnetic anisotropy energy was obtained for the Fe1 and Fe9 structures.