The DOI matches its Crossref record; 28 of the 28 references it cites were found in a registry or an index.
A Quantum‐Mechanical Map for Bonding and Properties in Solids
Open accessAbstract
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.
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Cites
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Self-citationAtoms in Molecules — a Quantum Theory
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Self-citationWhat Is the Covalency of Hydrogen Bonding?
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Cited by
Crystal Orbital Bond Index: Covalent Bond Orders in Solids
Müller, P. C., Ertural, C., Hempelmann, J., & Dronskowski, R. (2021) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.1c00718 · Cited by 388
Temperature dependence of dynamic dipole formation in PbTe
Holm, K. A. U., Roth, N., Zeuthen, C. M., Tolborg, K., Feidenhans'l, A. A., & Iversen, B. B. (2020) · Physical Review B · doi:10.1103/physrevb.102.024112 · Cited by 24
Metadata
- Authors
- Raty, J., Schumacher, M., Golub, P., Deringer, V. L., Gatti, C., & Wuttig, M.
- Venue
- Advanced Materials
- Publisher
- Wiley
- Published
- 2018-11-26
- Volume
- 31
- Issue
- 3
- Pages
- e1806280-e1806280
- ISSN
- 0935-9648 (ISSN-L)
- 1521-4095
- OpenAlex
- W2902350857
- Cited by
- 305
- References
- 28
- FWCI
- 11.39
- Type
- journal article
- Language
- en
- Open access
- hybrid
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