The work function and electronic structure of coherent Ag–Au interfaces

First-principles calculations reveal that coherent Ag–Au interfaces are energetically favorable with negative interface energies, signifying an intermixing tendency of Ag and Au. Calculations also show that for each Ag–Au interface two overlayers are needed to get a relatively stable work function and the interface dipole is formed due to an unequal loss of electrons from Ag and Au atoms. Moreover, the densities of states suggest that a stronger chemical bonding is formed in the Ag–Au interface than in the corresponding Ag or Au bulks.