Abstract
In order to investigate the enhancement mechanism of coercivity of SmCo5 due to partial substitution of Co atoms by Cu atoms, we calculate, by the first principles band calculation, the magnetic parameters such as magnetic moments and exchange constants of Y(Co1−xCux)5 for 0≦x≦1. The moments and the Curie temperatures estimated from the exchange constants decrease almost linearly with the Cu concentration x and are in quantitative agreement with the measured values. It is proposed that the decrease of effective exchange interactions between R ions by the partial substitution of Co atoms by Cu atoms is responsible for the high coercivity of this system.
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