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@ARTICLE{Fukushima:183560,
      author       = {Fukushima, T. and Shinya, H. and Fujii, H. and Sato, K. and
                      Katayama-Yoshida, H. and Dederichs, P. H.},
      title        = {{F}irst principles studies of {G}e{T}e based dilute
                      magnetic semiconductors},
      journal      = {Journal of physics / Condensed matter},
      volume       = {27},
      number       = {1},
      issn         = {1361-648X},
      address      = {Bristol},
      publisher    = {IOP Publ.},
      reportid     = {FZJ-2014-06854},
      pages        = {015501},
      year         = {2015},
      abstract     = {The electronic structure and magnetic properties of
                      GeTe-based dilute magnetic semiconductors (DMS) are
                      investigated by the Korringa–Kohn–Rostoker Green's
                      function method and the projector augmented wave method. Our
                      calculations for the formation energies of transition metal
                      impurities (TM) in GeTe indicate that the solubilities of TM
                      are quite high compared to typical III–V and II–VI based
                      DMS and that the TM doped GeTe has a possibility of room
                      temperature ferromagnetism with high impurity
                      concentrations. The high solubilities originate from the
                      fact that the top of the valence bands of GeTe consists of
                      the Te-5p anti-bonding states which are favorable to
                      acceptor doping. (Ge, Cr)Te system shows strong
                      ferromagnetic interaction by the double exchange mechanism
                      and is a good candidate for DMS with high Curie temperature.
                      Additionally, in the case of (Ge, Mn)Te with the d5
                      configuration, by introducing the Ge vacancies the p-d
                      exchange interaction is activated and it dominates the
                      antiferromagnetic superexchange, resulting in ferromagnetic
                      exchange interactions between Mn. This explains recent
                      experimental results reasonably. Based on the accurate
                      estimation of the Curie temperatures by Monte Carlo
                      simulation for the classical Heisenberg model with the
                      calculated exchange coupling constants, we discuss the
                      relevance of the TM doped GeTe for semiconductor
                      spintronics},
      cin          = {PGI-2},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-2-20110106},
      pnm          = {144 - Controlling Collective States (POF3-144)},
      pid          = {G:(DE-HGF)POF3-144},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000345462200014},
      doi          = {10.1088/0953-8984/27/1/015501},
      url          = {https://juser.fz-juelich.de/record/183560},
}