Band structure calculations based on the Korringa-Kohn-Rostoker coherent-potential approximation method are used to study the electronic structure and magnetic properties of BCC FeRu alloys within a Ru concentration of 20 at.%, although it is experimentally known that FeRu alloys include the FCC and HCP structures beyond a 5 at.% Ru concentration. The results show that the ruthenium is ferromagnetic in alpha -Fe with a moment of about 0.5mu B and that the ruthenium addition to alpha -Fe enhances the magnetic moment at Fe sites by about 0.02mu B/Ru at.% because of the magnetovolume effect and large spin splitting by Ru addition. The density of states calculated in the paramagnetic state shows that the strong d-d hybridization between Fe and Ru causes the spin splitting of Ru. The BCC structure is important in the process of Ru becoming ferromagnetic. We have clarified the reason why the average magnetic moment of the FeRu BCC alloy scarcely decreases with the Ru addition.
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Kobayashi et al. (1995) studied this question.
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