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arXiv · cond-mat/0512675

Mn and Fe Impurities in MgB_{2}

P. Jiji Thomas Joseph·Prabhakar P. Singh
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Abstract

Based on first principles calculations, we show that $Mn$ impurities are magnetic in $MgB_{2}$ due to exchange-splitting of $d_{3z^2-1}$ band and they substantially modify $B$ $p_σ$ and $p_π$ bands through hybridization. Thus, $Mn$ impurities could act as strong magnetic scattering centers 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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P. Jiji Thomas Joseph, Prabhakar P. Singh. 2006-07-31. Mn and Fe Impurities in MgB_{2}. https://doi.org/10.1016/j.ssc.2006.11.025

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