Journal of Physics F Metal Physics · 1973 · 86 citations · 40 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMetallic MaterialsSolid State PhysicsAb Initio MethodsAlloysDensity Functional TheoryMagnetism In SolidsMetalsOptical Properties Of SolidsCharge-transfer StatesCharge-transfer TransitionsElectronic Density Of StatesExchange-correlation FunctionalsLow-temperature Heat CapacityOptical Absorption
Electronic densities of states functions are calculated for the random substitutional alloy system Ag-Pd for a number of compositions across the complete range of concentrations. The calculations are based on the coherent potential approximation. It was found necessary to extend the simple model Hamiltonian method previously used to describe Cu-Ni alloys because of the stronger dependence of the lattice constant on composition in the Ag-Pd system. It is shown that the results are consistent with published photoemission and optical absorption data, and low temperature specific heat and Pauli spin susceptibility experiments. The possibility of s-d charge transfer in this alloy system is discussed.
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