Fully Relativistic Multiple Scattering Calculations for General Potentials

  • Hubert Ebert
  • Jürgen Braun
  • Sergiy Mankovsky
Conference paper
Part of the Springer Proceedings in Physics book series (SPPHY, volume 204)


The formal basis for fully relativistic Korringa–Kohn–Rostoker (KKR) or multiple scattering calculations for a general potential including a non-local part is reviewed. In particular the need to distinguish between right and left hand side solutions to the Dirac equation and the explicit expression for the electronic Green’s function are discussed.


  1. 1.
    K. Tauber, M. Gradhand, D.V. Fedorov, I. Mertig, Phys. Rev. Lett. 109, 026601 (2012)Google Scholar
  2. 2.
    H. Ebert, Rep. Prog. Phys. 59, 1665 (1996)Google Scholar
  3. 3.
    M.Z. Hasan, C.L. Kane, Rev. Mod. Phys. 82, 3045 (2010)Google Scholar
  4. 4.
    P. Weinberger, Electron Scattering Theory for Ordered and Disordered Matter (Oxford University Press, Oxford, 1990)Google Scholar
  5. 5.
    R. Feder, F. Rosicky, B. Ackermann, Z. Physik B 52, 31 (1983)Google Scholar
  6. 6.
    E. Tamura, Phys. Rev. B 45, 3271 (1992)Google Scholar
  7. 7.
    X. Wang, X.-G. Zhang, W.H. Butler, G.M. Stocks, B.N. Harmon, Phys. Rev. B 46, 9352 (1992)Google Scholar
  8. 8.
    T. Huhne, C. Zecha, H. Ebert, P.H. Dederichs, R. Zeller, Phys. Rev. B 58, 10236 (1998)Google Scholar
  9. 9.
    M.E. Rose, Relativistic Electron Theory (Wiley, New York, 1961)zbMATHGoogle Scholar
  10. 10.
    H. Ebert, J. Braun, D. Ködderitzsch, S. Mankovsky, Phys. Rev. B 93, 075145 (2016)ADSCrossRefGoogle Scholar
  11. 11.
    K. Kurki-Suonio, Isr. J. Chem. 16, 115 (1977)CrossRefGoogle Scholar

Copyright information

© Springer International Publishing AG, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Department ChemieLudwig-Maximilians-Universität MünchenMunich, BavariaGermany

Personalised recommendations