Abstract

A simple tight-binding theory of surface-segregation in transition-metal alloys is presented. It is shown that by using a rectangular shape of the d-band density of states, with bandwidth, band center, and band filling as only input parameters, segregation can be predicted for any transition-metal binary alloy (702 systems). Comparing with the systems measured experimentally (36) we find a good agreement (90%). The cases in disagreement involve magnetic elements. This theory allows also the calculation of the surface segregation in the whole concentration range, as a function of temperature.

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