DOI: 10.1063/1.330095. Molecular-orbital model for metal-sapphire interfacial strength

Molecular-orbital model for metal-sapphire interfacial strength

10.1063/1.330095

Crossref journal-article

AIP Publishing

Journal of Applied Physics (317)

Abstract

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.

Bibliography

Johnson, K. H., & Pepper, S. V. (1982). Molecular-orbital model for metal-sapphire interfacial strength. Journal of Applied Physics, 53(10), 6634â6637.

Authors 2

K. H. Johnson (first)
S. V. Pepper (additional)

References 32 Referenced 187

10.1016/0040-6090(73)90096-5 / Thin Solid Films (1973)
10.1098/rspa.1979.0046 / Proc. R. Soc. London Ser. A (1979)
10.1016/0043-1648(79)90128-5 / Wear (1979)
10.1111/j.1151-2916.1949.tb18931.x / J. Am. Ceram. Soc. (1949)
10.1111/j.1151-2916.1974.tb10915.x / J. Am. Ceram. Soc. (1974)
10.1021/j150541a033 / J. Phys. Chem. (1956)
{'key': '2024020501172462600_r4a', 'first-page': '512', 'volume': '233', 'year': '1965', 'journal-title': 'AIME Trans.'} / AIME Trans. (1965)
10.1063/1.322711 / J. Appl. Phys. (1976)
10.1103/PhysRevB.5.844 / Phys. Rev. B (1972)
{'key': '2024020501172462600_r6a'}
10.1063/1.3128915 / Phys. Today (1974)
{'key': '2024020501172462600_r6c'}
{'key': '2024020501172462600_r6d'}
10.1103/PhysRevB.5.831 / Phys. Rev. B (1972)
10.1021/ic50172a016 / Inorg. Chem. (1977)
10.1021/ja00461a004 / J. Am. Chem. Soc. (1977)
10.1021/ja00460a047 / J. Am. Chem. Soc. (1977)
10.1021/ar50126a001 / Acc. Chem. Res. (1978)
10.1103/PhysRevB.13.1396 / Phys. Rev. B (1976)
10.1016/0009-2614(77)85360-8 / Chem. Phys. Lett. (1977)
10.1103/PhysRevB.16.2526 / Phys. Rev. B (1977)
10.1103/PhysRevB.16.3415 / Phys. Rev. B (1977)
10.1016/0009-2614(78)80344-3 / Chem. Phys. Lett. (1978)
10.1016/0009-2614(73)80059-4 / Chem. Phys. Lett. (1973)
10.1021/ja00850a010 / J. Am. Chem. Soc. (1975)
10.1016/0022-3697(75)90203-6 / J. Phys. Chem. Solids (1975)
{'key': '2024020501172462600_r16', 'first-page': '319', 'volume': '59', 'year': '1974', 'journal-title': 'Am. Mineral.'} / Am. Mineral. (1974)
10.1016/0039-6028(78)90357-6 / Surf. Sci. (1978)
10.1021/ja00505a011 / J. Am. Chem. Soc. (1979)
10.1149/1.2130046 / J. Electrochem. Soc. (1980)
{'key': '2024020501172462600_r20', 'first-page': '289', 'volume': '2', 'year': '1964', 'journal-title': 'Solid State Commun.'} / Solid State Commun. (1964)
10.1016/0022-3697(68)90135-2 / J. Phys. Chem. Solids (1968)

Dates

Type	When
Created	22 years, 6 months ago (Feb. 14, 2003, 6:21 p.m.)
Deposited	1 year, 6 months ago (Feb. 4, 2024, 8:17 p.m.)
Indexed	1 hour, 14 minutes ago (Sept. 3, 2025, 1:16 a.m.)
Issued	42 years, 11 months ago (Oct. 1, 1982)
Published	42 years, 11 months ago (Oct. 1, 1982)
Published Print	42 years, 11 months ago (Oct. 1, 1982)

Funders 0

None

BibTeX

@article{Johnson_1982, title={Molecular-orbital model for metal-sapphire interfacial strength}, volume={53}, ISSN={1089-7550}, url={http://dx.doi.org/10.1063/1.330095}, DOI={10.1063/1.330095}, number={10}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Johnson, K. H. and Pepper, S. V.}, year={1982}, month=oct, pages={6634–6637} }

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