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.
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