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We present results of density‐functional calculations on the magnetic properties of Cr, Mn, Fe and Co nanoclusters (1–9 atoms large) supported on Cu(001) and Cu(111). The inter‐atomic exchange coupling is found to depend on competing mechanisms, namely ferromagnetic double exchange and antiferromagnetic kinetic exchange. Hybridization‐induced broadening of the resonances is shown to be important for the coupling strength. The cluster shape is found to affect the coupling via a mechanism that comprises the different orientation of the atomic  d ‐orbitals and the strength of nearest‐neighbour hopping. Especially in Fe clusters, a correlation of binding energy and exchange coupling is also revealed.

Exchange coupling in transition‐metal nanoclusters on Cu(001) and Cu(111) surfaces