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Phil. Mag. A 67 (1993) pp. 1447-1457

Stacking fault energies of random metallic alloys

S. Crampin

Institute for Theoretical Physics, Catholic University of Nijmegen, Toernooiveld, NL-6525 ED Nijmegen, The Netherlands

D.D. Vvedensky

The Blackett Laboratory, Imperial College, London SW7 2BZ, United Kingdom

R. Monnier

Laboratorium für Festkörperphysik, ETH-Hönggerberg, CH-8093 Zürich, Switzerland

Abstract
Stacking fault energies in dilute Cu(Al) alloys and across the composition range of PdAg alloys are calculated from first-principles using the layer Korringa-Kohn-Rostoker method and treating the compositional disorder within the coherent potential approximation. In Cu(Al), rigid band behaviour results in a sharp reduction in the fault energy with Al concentration. The non-uniform variation of the fault energy in PdAg is understood in terms of the relative band-widths and d-resonance energies of Pd and Ag.