Czechoslovak Journal of Physics

, Volume 53, Issue 1, pp 55–62 | Cite as

Bulk and Surface Effects in X-Ray Magnetic Circular Dichroism of Iron Clusters

  • O. Šipr
  • H. Ebert


General trends in x-ray magnetic circular dichroism (XMCD) spectra of iron clusters of different sizes are theoretically investigated using the fully-relativistic spin-polarized multiple-scattering formalism. Purely geometrical effects of clustering and cluster-size effects are explored separately from effects of various scattering potentials and/or treatment of the surface barrier. We found that a high portion of non-bulk atoms makes the XMCD spectra of iron clusters to appear significantly different from bulk spectrum, even for quite large clusters. If the vacuum surrounding the cluster is taken into account, XMCD spectra of iron clusters change essentially (in comparison with clusters cut out of the bulk or with clusters embedded in a sea of free electrons).

x-ray magnetic circular dichroism clusters spin-polarized relativistic KKR 


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. [1]
    K.W. Edmonds et al.: J. Magn. Magn. Mater. 220 (2000) 25. K.W. Edmonds et al.: J. Magn. Magn. Mater. 231 (2001) 113.Google Scholar
  2. [2]
    H.A. Dürr et al.: Phys. Rev. B 59 (1999) R701. H. Sakurai et al.: J. Phys.: Condens. Matter 12 (2000) 3451.Google Scholar
  3. [3]
    D. Zanghi et al.: J. Phys.: Condens. Matter 10 (1998) 9721.Google Scholar
  4. [4]
    H. Ebert: in Electronic structure and physical properties of solids, Lecture Notes in Physics, Vol. 535 (Ed. H. Dreyssé), Springer, Berlin, 2000, p. 191.Google Scholar
  5. [5]
    M. Cook and D.A. Case: Computer code XASCF, Quantum Chemistry Program Exchange, Indiana University, Bloomington, 1980.Google Scholar
  6. [6]
    O. Šipr and A. Šimůnek: J. Phys.: Condens. Matter 13 (2001) 8519.Google Scholar
  7. [7]
    F. Al Shamma, M. Abbate, and J.C. Fuggle: in Unoccupied Electron States (Eds. J.C. Fuggle and J.E. Ingles.eld), Springer, Berlin, 1992, p. 347.Google Scholar
  8. [8]
    D.D. Koelling and B.N. Harmon: J. Phys. C: Solid State Phys. 10 (1977) 3107. 62 Czech. J. Phys. 53 (2003)Google Scholar

Copyright information

© Institute of Physics, Academy of Sciences of Czech Republic 2003

Authors and Affiliations

  • O. Šipr
    • 1
  • H. Ebert
    • 2
  1. 1.Acad. Sci. CRInstitute of PhysicsPrahaCzech Republic
  2. 2.Department ChemieUniversität MünchenMünchenGermany

Personalised recommendations