Nonstoichiometric Interfaces and <span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi>Al</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow><mrow><msub><mrow><mi>O</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span> Adhesion with Al and Ag

W. Zhang; J. R. Smith

doi:10.1103/PhysRevLett.85.3225

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Nonstoichiometric Interfaces and ${Al}_{2} O_{3}$ Adhesion with Al and Ag

W. Zhang and J. R. Smith

Phys. Rev. Lett. 85, 3225 – Published 9 October 2000

Abstract

We have determined the relative stability of stoichiometric, oxygen-rich, and aluminum-rich $Al / Al_{2} O_{3}$ and $Ag / Al_{2} O_{3}$ interfaces from first principles. Stable structures vary significantly with oxygen chemical potentials. Computed works of adhesion agree reasonably well with sessile drop experimental values, including correlation with measured oxygen chemisorption effects on Ag. The ordering of predicted bond energies of the interfaces, ceramics, and metals seems consistent with monotonic and fatigue fracture experiments.

Received 2 May 2000

DOI:https://doi.org/10.1103/PhysRevLett.85.3225

Authors & Affiliations

W. Zhang¹ and J. R. Smith²

¹Princeton Materials Institute, Princeton University, Princeton, New Jersey 08540
²Delphi Research Laboratories, Warren, Michigan 48090

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Vol. 85, Iss. 15 — 9 October 2000

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Physical Review Letters

Nonstoichiometric Interfaces and Al2O3 Adhesion with Al and Ag

W. Zhang and J. R. Smith

Phys. Rev. Lett. 85, 3225 – Published 9 October 2000

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Nonstoichiometric Interfaces and ${Al}_{2} O_{3}$ Adhesion with Al and Ag