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@ARTICLE{Funck:862112,
      author       = {Funck, Carsten and Menzel, S.},
      title        = {{A}n atomistic view on the {S}chottky barrier lowering
                      applied to {S}r{T}i{O} 3 /{P}t contacts},
      journal      = {AIP Advances},
      volume       = {9},
      number       = {4},
      issn         = {2158-3226},
      address      = {New York, NY},
      publisher    = {American Inst. of Physics},
      reportid     = {FZJ-2019-02468},
      pages        = {045116 -},
      year         = {2019},
      abstract     = {The interface between a metal and a semiconductor is known
                      as Schottky contact and a key factor in semiconductor
                      technologies. Those interfaces normally build an energetic
                      barrier, which is responsible for the exponential current
                      voltage dependence. Analytical models often describe the
                      right trend for the description of the Schottky barrier
                      height, but fail to predict the barrier properties
                      quantitatively correct. To overcome this problem atomistic
                      and quantum mechanical approaches are required such as the
                      here applied density functional theory combined with the
                      non-equilibrium Greens function method. So far, these
                      methods have rarely been applied to wide band gap metal
                      oxides, which leads to a lack in the understanding of oxide
                      electronics. The presented study deals with the image force
                      induced Schottky barrier lowering of a SrTiO3/Pt interface
                      as a model system for wide band gap metal-oxide Schottky
                      contacts. The Schottky barrier lowering is investigated for
                      the case of different doping concentrations/positions and
                      for different voltages. From a defect chemical point of
                      view, oxygen vacancies act as donors in many metal oxides
                      and dominate the electronic conduction in oxide electronics.
                      Consequently, we investigated the Schottky barrier lowering
                      induced by oxygen vacancies. The second doping mechanism is
                      achieved in the sense of classical doping using Nb
                      impurities, which form a conventional n-type donor. The
                      atomistic simulation reveals the Schottky barrier lowering
                      effect for both type of dopants. The results are compared to
                      a standard analytical model regarding the Schottky barrier
                      lowering.},
      cin          = {PGI-7 / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-7-20110106 / $I:(DE-82)080012_20140620$},
      pnm          = {521 - Controlling Electron Charge-Based Phenomena
                      (POF3-521) / Modelling the Valency Change Memory Effect in
                      Resistive Switching Random Access Memory (RRAM)
                      $(jpgi70_20120501)$},
      pid          = {G:(DE-HGF)POF3-521 / $G:(DE-Juel1)jpgi70_20120501$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000466614700053},
      doi          = {10.1063/1.5082733},
      url          = {https://juser.fz-juelich.de/record/862112},
}