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@ARTICLE{Mller:1029019,
      author       = {Müller, P. C. and Elliott, S. R. and Dronskowski, R. and
                      Jones, R. O.},
      title        = {{C}hemical bonding in phase-change chalcogenides},
      journal      = {Journal of physics / Condensed matter},
      volume       = {36},
      number       = {32},
      issn         = {0953-8984},
      address      = {Bristol},
      publisher    = {IOP Publ.},
      reportid     = {FZJ-2024-04937},
      pages        = {325706 -},
      year         = {2024},
      abstract     = {lmost all phase-change memory materials (PCM) contain
                      chalcogen atoms, and their chemical bonds have been denoted
                      both as 'electron-deficient' [sometimes referred to as
                      'metavalent'] and 'electron-rich' ['hypervalent',
                      multicentre]. The latter involve lone-pair electrons. We
                      have performed calculations that can discriminate
                      unambiguously between these two classes of bond and have
                      shown that PCM have electron-rich, 3c–4e ('hypervalent')
                      bonds. Plots of charge transferred between (ET) and shared
                      with (ES) neighbouring atoms cannot on their own distinguish
                      between 'metavalent' and 'hypervalent' bonds, both of which
                      involve single-electron bonds. PCM do not exhibit
                      'metavalent' bonding and are not electron-deficient; the
                      bonding is electron-rich of the 'hypervalent' or multicentre
                      type.},
      cin          = {PGI-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-1-20110106},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {38697198},
      UT           = {WOS:001224980700001},
      doi          = {10.1088/1361-648X/ad46d6},
      url          = {https://juser.fz-juelich.de/record/1029019},
}