% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Raty:867959,
      author       = {Raty, Jean‐Yves and Schumacher, Mathias and Golub, Pavlo
                      and Deringer, Volker L. and Gatti, Carlo and Wuttig,
                      Matthias},
      title        = {{A} {Q}uantum‐{M}echanical {M}ap for {B}onding and
                      {P}roperties in {S}olids},
      journal      = {Advanced materials},
      volume       = {31},
      number       = {3},
      issn         = {1521-4095},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2019-06552},
      pages        = {1806280 -},
      year         = {2019},
      abstract     = {A 2D map is created for solid‐state materials based on a
                      quantum‐mechanical description of electron sharing and
                      electron transfer. This map intuitively identifies the
                      fundamental nature of ionic, metallic, and covalent bonding
                      in a range of elements and binary compounds; furthermore, it
                      highlights a distinct region for a mechanism recently termed
                      “metavalent” bonding. Then, it is shown how this
                      materials map can be extended in the third dimension by
                      including physical properties of application interest.
                      Finally, it is shown how the map coordinates yield new
                      insight into the nature of the Peierls distortion in
                      phase‐change materials and thermoelectrics. These findings
                      and conceptual approaches provide a novel avenue to tailor
                      material properties.},
      cin          = {PGI-10},
      ddc          = {660},
      cid          = {I:(DE-Juel1)PGI-10-20170113},
      pnm          = {521 - Controlling Electron Charge-Based Phenomena
                      (POF3-521)},
      pid          = {G:(DE-HGF)POF3-521},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:30474156},
      UT           = {WOS:000459628200023},
      doi          = {10.1002/adma.201806280},
      url          = {https://juser.fz-juelich.de/record/867959},
}