Study of surface segregation and order in AgPd alloys

Abstract The recently developed direct configurational averaging method is used in the calculation of thermodynamic properties of Ag-Pd alloy. This formalism is applied in electronically self-consistent calculation, and bulk properties as well as segregation profile near the surface are calculated. We discuss the determination of surface energies for the (001) and (111) orientations of the Ag 0.25 Pd 0.75 alloy and compare these results with theoretical and experimental data.