中国物理B ›› 2007, Vol. 16 ›› Issue (2): 506-510.doi: 10.1088/1009-1963/16/2/036

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

林景波1, 金迎九2, 李在一3   

  1. (1)Department of Physics, College of Science, Yanbian University, Yanji, Jilin 133002, China; (2)Department of Physics, College of Science, Yanbian University, Yanji, Jilin 133002, China;Department of Physics, Inha University, Incheon 402-751, Republic of Korea ; (3)Department of Physics, Inha University, Incheon 402-751, Republic of Korea
  • 收稿日期:2006-06-12 修回日期:2006-09-04 出版日期:2007-02-20 发布日期:2007-02-20
  • 基金资助:
    Project supported by the Ministry of Science and Technology of Korea through the National R&D Project for Nano Science and Technology.

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)   

  1. 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
  • Received:2006-06-12 Revised:2006-09-04 Online:2007-02-20 Published:2007-02-20
  • Supported by:
    Project supported by the Ministry of Science and Technology of Korea through the National R&D Project for Nano Science and Technology.

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摘要： 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\muB, which is slightly smaller than that (3.02\muB) for the Fe(nw)/Ag(001) but much larger than that (2.22\muB) 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).

关键词: nanowire, electronic structure, magnetism, full-potential linearized augmented plane wave

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.)

Key words: nanowire, electronic structure, magnetism, full-potential linearized augmented plane wave

中图分类号:  (Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.))

  • 71.15.Ap
71.20.Be (Transition metals and alloys) 73.22.-f (Electronic structure of nanoscale materials and related systems) 75.30.Cr (Saturation moments and magnetic susceptibilities)