Abstract
The energy and electronic structure of the solid solutions of Pt-Ir-M (M=Mo,Y,Zr) alloy systems were investigated using the first-principle pseudo-potential plane-wave method. The results show that, adding the same percentage content, 1% Mo doped in Au-Pd solid solution is the most stable phase structure. When doped with Y and Zr, they are likely to react with Au-Pd to form the corresponding intermetallic compounds.
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