ORIGIN OF THE [1-1 2-0] ATOMIC SHORT-RANGE ORDER IN AU-RICH AU-FE ALLOYS/

We have calculated the atomic short-range order (ASRO) and paramagneti c susceptibility in high-temperature, chemically disordered Au75Fe25 a nd Au90Fe10, using a density-functional-based, electronic-structure me thod. For both alloys, we obtain [11/20]-type ASRO, in excellent agree ment with experiments performed on samples that have been fast quenche d from high temperature. We also identify the underlying electronic me chanism responsible for this unusual ordering behavior. During anneali ng at high temperatures, we suggest that aligning local moments via an external magnetic field will produce interesting AuFe alloys with [10 0]-type ASRO.