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231225s2018 xx |||||o 00| ||eng c |
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|a 10.1002/adma.201803777
|2 doi
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|a pubmed24n0965.xml
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|a eng
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|a Wuttig, Matthias
|e verfasserin
|4 aut
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|a Incipient Metals
|b Functional Materials with a Unique Bonding Mechanism
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|c 2018
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Completed 17.12.2018
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|a Date Revised 30.09.2020
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2018 RWTH Aachen University. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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|a 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
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|a Journal Article
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|a chemical bonding
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|a materials design
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|a metavalent bonding
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|a phase-change materials
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|a thermoelectrics
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|a Deringer, Volker L
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Gonze, Xavier
|e verfasserin
|4 aut
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| 700 |
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|a Bichara, Christophe
|e verfasserin
|4 aut
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| 700 |
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|a Raty, Jean-Yves
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Advanced materials (Deerfield Beach, Fla.)
|d 1998
|g 30(2018), 51 vom: 03. Dez., Seite e1803777
|w (DE-627)NLM098206397
|x 1521-4095
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|g volume:30
|g year:2018
|g number:51
|g day:03
|g month:12
|g pages:e1803777
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|u http://dx.doi.org/10.1002/adma.201803777
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