Electronic structure of a metal-ceramic interface: ab initio calculations for magnesia/silver.

Bloechl P., Das G. P., Fischmeister H. F., Schoenberger U.

Max-Planck-Inst. Festkoerperforsch., Stuttgart , D-7000, Fed. Rep. Ger.

Ab initio calcns. were used to examine the electronic structure of the MgO-Ag interface. The translational state of the interface was detd., and hybridization and charge transfer were demonstrated. Bonding is caused essentially by electrostatic effects.

in: Metal-Ceramic Interfaces, Proceedings of an International Workshop (Santa Barbara, CA 1989), eds. M. Rühle, A. G. Evans, M. F. Ashby, J. P. Hirth. Oxford: Pergamon Press (1990), 9-14.

Max-Planck Institut für Festkörperforschung;
Postfach 80 06 65   D-70506 Stuttgart