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@ARTICLE{Thiess:759,
      author       = {Thiess, A. and Mokrousov, Y. and Blügel, S. and Heinze,
                      S.},
      title        = {{T}heory and {A}pplication of {C}hain {F}ormation in
                      {B}reak {J}unctions},
      journal      = {Nano letters},
      volume       = {8},
      issn         = {1530-6984},
      address      = {Washington, DC},
      publisher    = {ACS Publ.},
      reportid     = {PreJuSER-759},
      pages        = {2144 - 2149},
      year         = {2008},
      note         = {Financial support of the Stifterverband fur die Deutsche
                      Wissenschaft and the Interdisciplinary Nanoscience Center
                      Hamburg are gratefully acknowledged. We would like to thank
                      Paolo Ferriani for many fruitful suggestions at the final
                      stage of this paper and Ruben Weht for stimulating
                      discussions.},
      abstract     = {We introduce a generic model of chain formation in break
                      junctions by formulating criteria for the stability and
                      producibility of suspended monatomic chains based on total
                      energy arguments. Using ab initio calculations including
                      spin-polarization and spin-orbit coupling, we apply our
                      model to the formation of monatomic 4d and 5d transition
                      metal (TM) chains. We explain the physical origin of the
                      experimentally observed general trend of increasing
                      probability for the creation of long chains for late 5d TMs
                      and suppressed chain formation for 4d TMs. We also clarify
                      why the probability of chain elongation can be greatly
                      enhanced by the presence of adsorbates in experiments.},
      keywords     = {J (WoSType)},
      cin          = {IFF-1 / IAS-1 / JARA-FIT / JARA-SIM},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB781 / I:(DE-Juel1)IAS-1-20090406 /
                      $I:(DE-82)080009_20140620$ / I:(DE-Juel1)VDB1045},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Chemistry, Multidisciplinary / Chemistry, Physical /
                      Nanoscience $\&$ Nanotechnology / Materials Science,
                      Multidisciplinary / Physics, Applied / Physics, Condensed
                      Matter},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:18636781},
      UT           = {WOS:000258440700005},
      doi          = {10.1021/nl0800671},
      url          = {https://juser.fz-juelich.de/record/759},
}