Magnetic Energy Anomalies of 3 d Systems

The cohesive and surface energies of 3 d metals show an anomalous behavior since they are minimal in the middle of the 3 d series. We show that similar anomalies of magnetic origin also occur for many other 3 d systems, e.g. for the solution energies of 3 d impurities in noble metals and for their binding energies to vacancies. Based on detailed electronic-structure calculations, we demonstrate that all these anomalies arise from the same physical origin: an increased tendency for magnetism for more isolated configurations, resulting in a gain of exchange energy.