Electronic structures and magnetism of Fe nanowires on Cu(001) and Ag(001): A first-principles study
Jin Ying-Jiu(金迎九)a)b)†, Lin Jing-Bo(林景波)a), and Lee Jae Il(李在一)b)
a Department of Physics, College of Science, Yanbian University, Yanji, Jilin 133002, China; b Department of Physics, Inha University, Incheon 402-751, Republic of Korea
Abstract 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 So the above article in Chinese Physics will be withdrawn from the publication.)
Received: 12 June 2006
Revised: 04 September 2006
Accepted manuscript online:
PACS:
71.15.Ap
(Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.))
Fund: Project supported by the Ministry
of Science and Technology of Korea through the National R&D Project
for Nano Science and
Technology.
Cite this article:
Jin Ying-Jiu(金迎九), Lin Jing-Bo(林景波), and Lee Jae Il(李在一) Electronic structures and magnetism of Fe nanowires on Cu(001) and Ag(001): A first-principles study 2007 Chinese Physics 16 506
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