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@ARTICLE{Rushchanskii:1019565,
      author       = {Rushchanskii, Konstantin Z. and Lezaic, Marjana and
                      Blügel, Stefan},
      title        = {{D}oped {H}f{O} x {N}anoclusters: {P}olar and {R}esistive
                      {S}witching in the {S}mallest {F}unctional {U}nits},
      journal      = {Physica status solidi / A},
      volume       = {221},
      number       = {22},
      issn         = {1862-6300},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2023-05502},
      pages        = {2300404},
      year         = {2024},
      abstract     = {In the study presented in this article, the impact of
                      proton doping on the structuraland electronic properties of
                      hafnium oxide nanoclusters is investigated, with afocus on
                      their potential for use in resistive and polar switching
                      devices. In theresults, it is shown that the incorporation
                      of protons can stabilize the cage-likecrystalline structures
                      of Hf6Oxclusters, leading to reversible changes in
                      electronicproperties by varying oxygen stoichiometry.
                      However, the full coverage of hafniaatoms by hydrogen
                      removes in-gap states, highlighting the importance of
                      con-trolled moisture content in redox-based memristive
                      devices and neuromorphicunits. In addition, in this study,
                      the polar properties of these clusters are
                      explored,illustrating possible polar switching in metastable
                      pure Hf6O9, low-barrier anti-ferroelectric-like switching in
                      carbon-stabilized Hf6O9∶C, and low-barrier polarswitching
                      in Hf10O15∶C. In thesefindings, the potential of
                      HfOxclusters isrevealed as active components for
                      next-generation high-capacity nonvolatileelectronic memory
                      and beyond von Neumann computing in sub-nanometer scale.},
      cin          = {PGI-1 / IAS-1 / JARA-FIT / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {5211 - Topological Matter (POF4-521) / SFB 917 B08 -
                      Theorie und Modellierung des valenzwechselbasierenden
                      resistiven Schaltens (B08) (277688301)},
      pid          = {G:(DE-HGF)POF4-5211 / G:(GEPRIS)277688301},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001170508800001},
      doi          = {10.1002/pssa.202300404},
      url          = {https://juser.fz-juelich.de/record/1019565},
}