Electronic structures and magnetism of Fe nanowires on Cu(001) and Ag(001): A first-principles study

The electronic structures and magnetism of Fe nanowires along the 110 direction on Cu(001) and Ag(001) Fe(nw)/Cu(001) and Fe(nw)/Ag(001) are investigated by using the all-electron full-potential linearized augmented plane wave method in the generalized gradient approximation. It is found that the magnetic moment of Fe atom for the Fe(nw)/Cu(001) is 2.99\mu_B, which is slightly smaller than that (3.02\mu_B) for the Fe(nw)/Ag(001) but much larger than that (2.22\mu_B) for the bcc iron. The great enhancement of magnetic moment in the Fe nanowires can be explained by the Fe d-band narrowing and enhancement of the spin-splitting due to a reduction in coordination number. From the calculated spin-polarized layer-projected density of states, it is found that the Fe 3d-states are strongly hybridized with the adjacent Cu 3d-states in the Fe(nw)/Cu(001), and there exists a strong hybridization between the Fe sp- and the adjacent Ag 4d-states in the Fe(nw)/Ag(001).


(Retraction: Due to the fault of the author(s), the article entitled ``Electronic structures and magnetism of Fe nanowires on Cu(001) and Ag(001): A first-principles study'', published in 2007 Vol.16, No.2, pp506-510, has been clarified to be a duplicate of the following articles, which have been published in (i) Jin Y J et al 2004 Physica Status Solidi b241 pp1431-1434; (ii) Jin Y J et al 2005 Journal of the Korean Magnetics Society Vol.15 pp217-220. So the above article in Chinese Physics will be withdrawn from the publication.)