L-Edge Absorption and Dichroism in Low Symmetry \(3d^0\) Compounds

  • Peter KrügerEmail author
  • Calogero R. Natoli
Conference paper
Part of the Springer Proceedings in Physics book series (SPPHY, volume 204)


Inorganic compounds containing light transition metal ions in a formal (\(3d^0\)) electronic configuration often have a complex atomic structure and several polymorphs may co-exist, especially in nanomaterials. X-ray absorption spectra at the metal L-edge probes the symmetry, electronic state and bonding of the transition metal ion. In low symmetry crystals, linear dichroism is common and reflects a complicated ligand field. We show that the metal \(L_{2,3}\)-edge spectra, which are dominated by strong particle-hole multiplet coupling, are well described with multichannel multiple scattering theory. The ligand field and band effects are included ab initio by the anisotropic scattering of the excited electron, whereby complex dichroism can be accounted for. Titanite nanostructures and calcium carbonate are taken as examples.



P. K. is grateful to Dr Carla Bittencourt, Prof. Adam Hitchcock and Dr Xiaofeng Zhu for many fruitful discussions.


  1. 1.
    F.M.F. de Groot, J.C. Fuggle, B.T. Thole, G.A. Sawatzky, Phys. Rev. B 41, 928 (1990)ADSCrossRefGoogle Scholar
  2. 2.
    E.L. Shirley, J. Electron Spectrosc. Relat. Phenom. 144, 1187 (2005)CrossRefGoogle Scholar
  3. 3.
    R. Laskowski, P. Blaha, Phys. Rev. B 82, 205104 (2010)Google Scholar
  4. 4.
    P. Krüger, C.R. Natoli, Phys. Rev. B 70, 245120 (2004)ADSCrossRefGoogle Scholar
  5. 5.
    X. Zhu, A.P. Hitchcock, C. Bittencourt, P. Umek, P. Krüger, J. Phys. Chem. C 119, 24192 (2015)Google Scholar
  6. 6.
    I. Andrusenko, E. Mugnaioli, T.E. Gorelik, D. Koll, M. Panthofer, W. Tremel, U. Kolb, Acta Crystallogr., Sect. B: Struct. Sci. 67, 218 (2011)Google Scholar
  7. 7.
    O.K. Andersen, O. Jepsen, Phys. Rev. Lett. 53, 2571 (1984)Google Scholar
  8. 8.
    P. Krüger, Phys. Rev. B 81, 125121 (2010)Google Scholar
  9. 9.
    P. Krüger, C.R. Natoli, J. Phys. Conf. Ser. 712, 012007 (2016)Google Scholar
  10. 10.
    P. Rez, A. Blackwell, J. Phys. Chem. B 115, 11193 (2011)CrossRefGoogle Scholar
  11. 11.
    R.A. Metzler, P. Rez, J. Phys. Chem. B 118, 6758 (2014)CrossRefGoogle Scholar

Copyright information

© Springer International Publishing AG, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Graduate School of EngineeringChiba UniversityChibaJapan
  2. 2.INFN-LNF FrascatiFrascatiItaly

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