Magnetic and electronic properties of Fe/Cu multilayered nanowires: A first-principles investigation

By using the first-principles calculations, we have systematically investigated the equilibrium structure, magnetic and electronic properties of one-dimensional Fe/Cu multilayered nanowires. We find that the stability of the Fe/Cu multilayered nanowires decreases with increasing concentration of nonmagnetic Cu layers, suggesting that rich Fe nanowires are more stable. Analysis of the average magnetic moment (μav) per Fe atom in the Fe/Cu multilayered nanowire suggests that there is a slight increase in μav with the increase in the number of nonmagnetic Cu layers, which was attributed to the increased Fe–Cu distance with increase in the Cu layers at interfacial layers. Furthermore, analysis of the band structures of these nanowires suggests strong dependence of conductance on the nonmagnetic Cu spacer layer thickness and a half-metallic character is observed for moderate Cu atoms substitutions, opening up the possibility for their application in magnetoelectronics or spintronics.

Graphical abstractThere is a gap opening in the spin-down channel and only the majority band contribute to the conductance near the Fermi level in Fe23Cu16 nanowire.Figure optionsDownload full-size imageDownload as PowerPoint slideHighlights► The stability of the Fe/Cu nanowires decreases with increasing number of Cu layers. ► There is a slight increase in μav with the increase in the number of Cu layers. ► A half-metallic character is observed for moderate Cu atoms substitutions.