THEORETICAL-STUDY OF TRANSITION-METAL ADHESION ON DOPED AL2O3

The effect of doping alpha-Al2O3 with an electron acceptor (Cr3+) on a dhesion to first row transition metals is studied by tight-binding ext ended Huckel band structure calculations. Charge transfer from the met al to the partially filled t2g levels of the dopant enhance the metal- ceramic interface strength. A predicted side effect is the weakening o f the Cr-O bonds in the ceramic, leading to possible adhesive failure in the first layers of the oxide phase. The adhesive energy is predict ed to increase with dopant concentration, although not showing a simpl e linear dependence.