Abstract
Based on first principles calculations, we show that Mn impurities are magnetic in MgB 2 due to exchange-splitting of d 3 z 2 − 1 band. Thus, Mn impurities could act as strong magnetic scattering centres leading to pair-breaking effects in MgB 2. In contrast, we find Fe impurities in MgB 2 to be nearly non-magnetic.
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