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@INPROCEEDINGS{Rssmann:189306,
      author       = {Rüssmann, Philipp and Aboulouz, Emad and Long, Nguyen
                      Hoang and Mavropoulos, Phivos and Blügel, Stefan},
      title        = {{KKR}-{G}reen function approach to time-reversal scattering
                      off surface impurities in {B}i$_2${T}e$_3$},
      reportid     = {FZJ-2015-02484},
      year         = {2015},
      abstract     = {In structure inversion-asymmetric environments such as
                      surfaces and interfaces the spin of quasiparticles can have
                      a profound effect on their interference. Quasiparticle
                      interference patterns measured typically by scanning
                      tunneling microscopy are not related in a trivial way to the
                      dispersion of the electronic states. In fact, for Bi(110)
                      [1] it could be shown that the observed interference
                      patterns can be interpreted only by taking spin-conserving
                      scattering events into account. In this contribution we go
                      one step further and include explicitly in the analysis the
                      scattering of the helical surface state electrons off single
                      non-magnetic and magnetic impurities at the surface of the
                      strong topological insulator Bi2Te3. As a matter of
                      principle, magnetic impurities at surfaces break the
                      protection against backscattering. We study this loss of
                      protection by density-functional calculations of the
                      quasiparticle interference at surfaces due to scattering,
                      taking into account time-reversed transitions caused by the
                      magnetic moment. Finally we will also comment on the effect
                      of impurities in the bulk with a focus on the emergence of
                      impurity bands. In our calculations we employ the KKR-Green
                      function method for the electronic structure and scattering
                      properties at defects [2, 3]. We acknowledge financial
                      support from the DFG (SPP-1666) and from the VITI project
                      (DBB01126) of the Helmholtz Association and computational
                      support from the JARA-HPC Supercomputing Centre at the RWTH
                      Aachen University. References [1] J.I. Pascual, G.
                      Bihlmayer, Yu. M. Koroteev, H.-P. Rust, G. Ceballos, M.
                      Hansmann, K. Horn, E. V. Chulkov, S. Blügel, P. M.
                      Echenique, and Ph. Hofmann Phys. Rev. Lett. 93, 196802
                      (2004) [2] S. Heers, PhD Thesis, RWTH Aachen (2011); D.S.G.
                      Bauer, PhD Thesis, RWTH Aachen (2013), B. Zimmerman, PhD
                      Thesis, RWTH Aachen (2014) [3] N. H. Long, P. Mavropoulos,
                      B. Zimmermann, D. S. G. Bauer, S. Blügel, and Y. Mokrousov,
                      Phys. Rev. B 90, 064406 (2014)},
      month         = {Feb},
      date          = {2015-02-09},
      organization  = {584. WE-Heraeus-Seminar on 'Green's
                       Functions in ab initio Electronic
                       Structure Calculations of Solids: From
                       Implementations to Applications'', Bad
                       Honnef (Germany), 9 Feb 2015 - 11 Feb
                       2015},
      subtyp        = {Other},
      cin          = {IAS-1 / PGI-1 / JARA-FIT},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)24},
      url          = {https://juser.fz-juelich.de/record/189306},
}