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Incipient Metals: Functional Materials with a Unique Bonding Mechanism

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Wuttig, Matthias [Institute of Physics IA RWTH Aachen University 52074 Aachen, Germany] Deringer, Volker L. [Department of Engineering University of Cambridge Cambridge CB2 1PZ, UK] Gonze, Xavier [UCL] Bichara, Christophe [Centre Interdisciplinaire de Nanoscience de Marseille CNRS and Aix-Marseille University, Campus de Luminy, Marseille, France] Raty, Jean-Yves [CESAM & Physics of Solids Interfaces and Nanostructures B5, Université de Liège B4000 Sart-Tilman, Belgium]

While solid-state materials are commonly classified as covalent, ionic, or metallic, there are cases that defy these iconic bonding mechanisms. Phasechange 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.

Document type Article de périodique (Journal article) – Article de recherche
Access type Accès libre
Publication date 2018
Language Anglais
Journal information "Advanced Materials" - Vol. 30, no.51, p. 1803777 (2018)
Peer reviewed yes
Publisher Wiley
issn 0935-9648
Publication status Publié
Affiliation UCL - SST/IMCN/NAPS - Nanoscopic Physics
Keywords Mechanical Engineering ; General Materials Science ; Mechanics of Materials
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Bibliographic reference Wuttig, Matthias ; Deringer, Volker L. ; Gonze, Xavier ; Bichara, Christophe ; Raty, Jean-Yves. Incipient Metals: Functional Materials with a Unique Bonding Mechanism. In: Advanced Materials, Vol. 30, no.51, p. 1803777 (2018)
Permanent URL http://hdl.handle.net/2078.1/214078