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@ARTICLE{Picozzi:62272,
      author       = {Picozzi, S. and Lezaic, M.},
      title        = {{A}b-initio study of exchange constants and electronic
                      structure in diluted magnetic group-{IV} semiconductors},
      journal      = {New journal of physics},
      volume       = {10},
      issn         = {1367-2630},
      address      = {[Bad Honnef]},
      publisher    = {Dt. Physikalische Ges.},
      reportid     = {PreJuSER-62272},
      pages        = {055017},
      year         = {2008},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Exchange-constants have been evaluated from
                      first-principles in Mn-doped Ge, mainly focusing on the
                      effects of the impurity concentration and of the arrangement
                      of Mn-atoms in the semiconducting matrix. As expected, the
                      Mn-concentration strongly affects the magnitude of the
                      exchange constants (especially between Mn as
                      first-nearest-neighbors (NNs) in the cation position).
                      Interestingly, the arrangement of Mn atoms is found to be
                      relevant for the behavior of the second-NN exchange-constant
                      along the [110]-bonding direction, which shows either a
                      strongly ferromagnetic or a marked antiferromagnetic
                      behavior, depending on whether the interaction is mediated
                      by a Ge or by an Mn atom, respectively. This suggests that,
                      at least for rather high values of the doping concentration
                      (similar to $10\%),$ a detailed knowledge of the Mn
                      positions in the host is required for a careful prediction
                      of the exchange constants and, therefore, of the ordering
                      Curie temperature in Mn-doped Ge. The analysis of the
                      impurity-and host-induced effects on the exchange constants
                      is carried out by comparing (i) Mn- and Cr-doped Ge and (ii)
                      Mn-doped Ge and GaAs. Our findings regarding the global weak
                      antiferromagnetism for CrGe confirm that ferromagnetism in
                      diluted magnetic semiconductors requires the presence of
                      holes, whereas Ge and GaAs appear rather similar as for the
                      exchange constants, both showing strong environmental
                      effects.},
      keywords     = {J (WoSType)},
      cin          = {IFF-1 / CNI},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB781 / I:(DE-Juel1)VDB381},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000256426800013},
      doi          = {10.1088/1367-2630/10/5/055017},
      url          = {https://juser.fz-juelich.de/record/62272},
}