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Motivated by recent STM results for Cr on Fe(001) we present a detailed ab-initio study of the alloying process in the dilute limit for 3d atoms on the Fe(001) surface. The calculations are based on local density functional theory and apply a KKR{Green's function method for impurities on surfaces. For practically all 3d transition metal impurities on Fe(001) we nd a strong tendency for a direct exchange mechanism into the rst surface layer. The early 3d impurities V, Cr and Mn strongly repel each other on neighboring positions within the rst layer, while Ni and Cu atoms show a moderate repulsion. The ab{initio results are in good agreement with STM studies for Cr/Fe(001) by the NIST group and present valuable predictions for all 3d/Fe(001) systems.

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