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@INPROCEEDINGS{Rssmann:189302,
      author       = {Rüssmann, Philipp and Mavropoulos, Phivos and Long, Nguyen
                      Hoang and Bauer, David and Blügel, Stefan},
      title        = {{A}b initio description of quasiparicle spin interference
                      and time-reversal scattering processes off magnetic
                      impurties},
      reportid     = {FZJ-2015-02480},
      year         = {2014},
      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] we could show 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 single non-magnetic and magnetic impurities
                      with and without spin-orbit interaction. We present
                      density-functional calculations of the quasiparticle
                      interference at surfaces due to scattering off magnetic
                      adatoms. We consider two substrates Au(111) and a thin film
                      of Bi2Te3, a three-dimensional topological insulator
                      (3D-TI). Our focus is on 3d impurities on Au(111) where the
                      spin-orbit coupling (SOC) causes a Rashba-type splitting of
                      the surface. The spin polarization of the quasiparticle
                      waves shows a non-collinear behavior because of SOC. We
                      compare to previous model-based results [2] and discuss the
                      relation to the scattering properties of the impurity. As a
                      matter of principle, magnetic impurities at surfaces break
                      the topological protection in 3D-TI and we study this loss
                      of protection by taking into account time-reversed
                      transitions caused by the magnetic moment. In our
                      calculations we employ the KKR-Green function method for the
                      electronic structure and scattering properties at defects
                      [3, 4]. 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. [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. Lounis, A. Bringer, and
                      S. Blügel, Phys. Rev. Lett. 108, 207202 (2012).[3] S.
                      Heers, PhD Thesis, RWTH Aachen (2011); D.S.G. Bauer, PhD
                      Thesis, RWTH Aachen (2013), B. Zimmerman, PhD Thesis, RWTH
                      Aachen (2014)[4] N. H. Long, P. Mavropoulos, B. Zimmermann,
                      D. S. G. Bauer, S. Blügel, and Y. Mokrousov, Phys. Rev. B
                      90, 064406 (2014)},
      month         = {Nov},
      date          = {2014-11-12},
      organization  = {Topological and Dirac matter: from
                       modeling to imaging, Bordeaux (France),
                       12 Nov 2014 - 14 Nov 2014},
      subtyp        = {Other},
      cin          = {PGI-1 / IAS-1 / JARA-FIT},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {422 - Spin-based and quantum information (POF2-422)},
      pid          = {G:(DE-HGF)POF2-422},
      typ          = {PUB:(DE-HGF)24},
      url          = {https://juser.fz-juelich.de/record/189302},
}