The application of the Morse potential function in ordered Cu3Au and Au3Cu alloys

Abstract

The Morse potential function has been applied to describe the harmonic properties of Cu₃Au and Au₃Cu alloys in the state of perfect order from first and second nearest neighbour considerations. The potential parameters for like and unlike atomic interactions have been determined in a consistent manner. In the case of unlike atomic interactions a set of combination rules has been used to determine the parameters. Utilizing these parameters the nearest neighbour distances, elastic constants, Debye temperatures and cohesive energies for the ordered Cu₃Au and Au₃Cu alloys have been calculated from the derived expressions. A fairly satisfactory agreement has been observed when compared with the available experimental values.