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Ordering Tendencies In The Binary Alloys Of Rh, Pd, Ir, And Pt: Density Functional Calculations, Gus L. W. Hart, Brian Kolb, Stefan Müller, David B. Botts

Faculty Publications

The binary alloys of Rh, Pd, Ir, and Pt are important because of their high catalytic potential. We report in this paper that the Rh1-xIrx and Rh1-xPtx systems, long thought to phase separate at low temperatures, actually exhibit miscibility over the entire concentration and temperature range. We find low critical ordering temperatures, indicating that long-range order is unlikely to be observed experimentally. These results are compared with previous theoretical predications for the other binary alloys of Rh, Pd, Ir, and Pt and with calculations performed here on the Pt1-xIrx and Pd1-xIrx systems. We discuss these results and investigate the mechanisms …