Alloying-induced surface stress change in Cu(100)c(2x2)-Mn

Recent density functional theory calculations of changes in surface stress associated with the formation of surface alloy phases at metal surfaces have been extended to include the system Cu(100)c(2x2)-Mn, the first such system for which an experimental value has recently been obtained. The results of these calculations are in reasonable agreement with experiment, but also reveal that, like the surface structural parameters for this system discussed in the past, the sign of the surface stress is strongly correlated to the fact that the Mn atoms have a high local moment in this phase.