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Ab-Initio Investigation of Metal-Ceramic Bonding: M(001)/MgAl2O4(001), M = Al, Ag

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Interface Science

Abstract

The optimised adhesion geometry and the work of adhesion were determined for the interface systems Al(001)/MgAl2O4(001) and Ag(001)/MgAl2O4(001) by ab-initio density-functional calculations. Al is bound strongly on-top of oxygen at reduced lattice spacing, whereas weak adhesion and no unique optimum structure are obtained for Ag. An analysis of the electronic structure shows that in both systems the metal-ceramic interaction is spatially confined to a narrow range along the interface layers. The weak adhesion of Ag on spinel is mediated by a polarisation of the metal film, which may be classified as an image-charge interaction. In the case of Al a weak image-charge contribution is dominated by a strong electron-density redistribution perpendicular to the interface, which leads to the formation of directional Al—O bonds.

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  1. Max-Planck-Institut für Metallforschung, Seestraße 92, D-70174, Stuttgart, Germany

    S. Köstlmeier & C. Elsässer

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  1. S. Köstlmeier
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  2. C. Elsässer
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Köstlmeier, S., Elsässer, C. Ab-Initio Investigation of Metal-Ceramic Bonding: M(001)/MgAl2O4(001), M = Al, Ag. Interface Science 8, 41–54 (2000). https://doi.org/10.1023/A:1008731219968

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