Electronic structure of ordered and disordered copper-palladium (Cu50Pd50 and Cu75Pd25) alloys.

Bose S. K., Kudrnovsky J., Jepsen O., Andersen O. K.

Max-Planck-inst. Festkoerperforsch., Stuttgart , 7000/80, Fed. Rep. Ger.

The electronic d. of states were calcd. in ordered and disordered Cu50Pd50 and Cu75Pd25 alloys by using the linear muffin-tin orbitals method. For ordered alloys, the results are obtained via a self-consistent method. The parameters for Cu and Pd are appropriately transferred to the ordered alloy calcn. to produce results in excellent agreement with the self-consistent calcn. For disordered alloys, the electronic d. of states was calcd. via the recursion and coherent-potential-approxn. methods. The effect of deviation from the ideal lattice structure due to different sizes of Cu and Pd atoms in the alloys was studied. The scheme of transferring parameters from the components to the alloy used in the calcn. for the disordered phase is discussed.

in High-Temperature Ordered Intermetallic Alloys IV, eds. L.A. Johnson, D. P, Pope, J. O. Stiegler. Pittsburgh: MRS (1991), 95-100 (= Symposium Proceedings, Vol. 213).

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