Mn and Fe Impurities in MgB_{2}

Abstract

Based on first principles calculations, we show that $Mn$ impurities are magnetic in $Mg{B}_2$ due to exchange-splitting of $d_{3z^2-1}$ band and they substantially modify $B$ $p_{\sigma }$ and $p_{\pi }$ bands through hybridization. Thus, $Mn$ impurities could act as strong magnetic scattering centers leading to pair-breaking effects in $Mg{B}_2$. In contrast, we find $Fe$ impurities in $Mg{B}_2$ to be nearly non-magnetic.

revised version

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Cited by in corpus (2)

• Probing multiband superconductivity by point-contact spectroscopy
• High-pressure high-temperature solution growth, structural, and superconducting properties of Fe-substituted MgB2 single crystals