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Molecular-orbital model for metal-sapphire interfacial strength (1982)

Johnson, K. H. ; Pepper, S. V.

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Publication Date: 2019-06-28

Description: Self-consistent-field X-Alpha scattered-wave cluster molecular-orbital models have been constructed for transition and noble metals (Fe, Ni, Cu, and Ag) in contact with a sapphire (Al2O3) surface. It is found that a chemical bond is established between the metal d-orbital electrons and the nonbonding 2p-orbital electrons of the oxygen anions on the Al2O3 surface. An increasing number of occupied metal-sapphire antibonding molecular orbitals explains qualitatively the observed decrease of contact shear strength through the series Fe, Ni, Cu, and Ag.

Keywords: INORGANIC AND PHYSICAL CHEMISTRY

Type: Journal of Applied Physics; 53; Oct. 198

Format: text

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