Crystal binding (interatomic forces): Metallic bonding and crystals

Willock, D.J. ORCID: https://orcid.org/0000-0002-8893-1090 2023. Crystal binding (interatomic forces): Metallic bonding and crystals. Sanchez, Ana M., Aoki, Hideo, Blick, Robert H., Raimondi, Roberto, Roemer, Rudolf A. and Fomin, Vladimir Mihajlovic, eds. Reference Module in Materials Science and Materials Engineering, Elsevier, pp. 217-230. (10.1016/B978-0-323-90800-9.00193-1)

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Abstract

Metal bonds differ from ionic and covalent bonds in the degree of delocalization of electrons between nuclei. In this chapter we will use the ideas of band theory to look at the way these delocalized electrons can be described mathematically. A tight binding approach helps identify electron states that stabilize the structure (bonding states) or destabilize the system if occupied (anti-bonding states). Density of states per energy unit is compared between bands formed from different atomic orbitals in 1-D examples. Band theory is then applied to understand the crystal structures taken on by the first row transition metals.

Item Type:	Book Section
Date Type:	Published Online
Status:	Published
Schools:	Chemistry Cardiff Catalysis Institute (CCI)
Publisher:	Elsevier
Last Modified:	22 May 2024 09:52
URI:	https://orca.cardiff.ac.uk/id/eprint/161434

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