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@ARTICLE{Tarasenko:54978,
      author       = {Tarasenko, A. and Jastrabik, L. and Müller, T.},
      title        = {{M}odeling diffusion on heterogeneous lattices:
                      {D}erivation of general analytical expressions and
                      verification for a two-dimensional square lattice},
      journal      = {Physical review / B},
      volume       = {75},
      number       = {8},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-54978},
      pages        = {085401},
      year         = {2007},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {In order to model diffusion for real crystals, it is
                      necessary to acknowledge that for many chemically and
                      physically interesting classes of compounds (e.g.,
                      semiconductors, ionic solids, alloys), there are several
                      different binding sites of possibly widely different
                      character. In contrast to the majority of existing
                      lattice-gas models, which ignore this aspect by assuming
                      equivalent lattice sites, we investigate the diffusion of
                      particles on a heterogeneous lattice with two kinds of
                      nonequivalent sites. General analytical expressions for the
                      chemical and jump diffusion coefficients have been derived
                      in the case of strong inhomogeneity for lattices of
                      different symmetries and dimensionality. It is shown that
                      the character of the particle migration depends crucially on
                      the relative jump frequencies of particles sitting in deep
                      and shallow sites. If these frequencies differ
                      insignificantly, particle diffusion proceeds by single
                      uncorrelated jumps. In the opposite case of widely differing
                      jump frequencies, particles perform pairs of strongly
                      correlated jumps. We have calculated density dependencies of
                      the diffusion coefficients and some thermodynamic quantities
                      for different temperatures and signs of the lateral pairwise
                      interaction between the particles. The analytical data
                      obtained by the real-space renormalization-group method have
                      been compared with the numerical data obtained by Monte
                      Carlo simulations. Almost perfect agreement between the
                      respective results has been found.},
      keywords     = {J (WoSType)},
      cin          = {ZAM},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB62},
      pnm          = {Scientific Computing},
      pid          = {G:(DE-Juel1)FUEK411},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000244533800060},
      doi          = {10.1103/PhysRevB.75.085401},
      url          = {https://juser.fz-juelich.de/record/54978},
}