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@ARTICLE{Wuttig:867920,
      author       = {Wuttig, Matthias and Deringer, Volker L. and Gonze, Xavier
                      and Bichara, Christophe and Raty, Jean-Yves},
      title        = {{I}ncipient {M}etals: {F}unctional {M}aterials with a
                      {U}nique {B}onding {M}echanism},
      journal      = {Advanced materials},
      volume       = {30},
      number       = {51},
      issn         = {0935-9648},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2019-06518},
      pages        = {1803777 -},
      year         = {2018},
      abstract     = {While solid‐state materials are commonly classified as
                      covalent, ionic, or metallic, there are cases that defy
                      these iconic bonding mechanisms. Phase‐change materials
                      (PCMs) for data storage are a prominent example: they have
                      been claimed to show “resonant bonding,” but a clear
                      definition of this mechanism has been lacking. Here, it is
                      shown that these solids are fundamentally different from
                      resonant bonding in the π‐orbital systems of benzene and
                      graphene, based on first‐principles data for vibrational,
                      optical, and polarizability properties. It is shown that
                      PCMs and related materials exhibit a unique mechanism
                      between covalent and metallic bonding. It is suggested that
                      these materials be called “incipient metals,” and their
                      bonding nature “metavalent”. Data for a diverse set of
                      58 materials show that metavalent bonding is not just a
                      superposition of covalent and metallic cases, but instead
                      gives rise to a unique and anomalous set of physical
                      properties. This allows the derivation of a characteristic
                      fingerprint of metavalent bonding, composed of five
                      individual components and firmly rooted in physical
                      properties. These findings are expected to accelerate the
                      discovery and design of functional materials with attractive
                      properties and applications, including nonvolatile memories,
                      thermoelectrics, photonics, and quantum materials.},
      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:30318844},
      UT           = {WOS:000453926000029},
      doi          = {10.1002/adma.201803777},
      url          = {https://juser.fz-juelich.de/record/867920},
}