Based on first principles calculations, we show that Mn impurities are magnetic in MgB2 due to exchange-splitting of d3z2−1 band and they substantially modify Bpσ and pπ bands through hybridization. Thus, Mn impurities could act as strong magnetic scattering centers leading to pair-breaking effects in MgB2. In contrast, we find Fe impurities in MgB2 to be nearly non-magnetic.
Cite
@article{arxiv.cond-mat/0512675,
title = {Mn and Fe Impurities in MgB_{2}},
author = {P. Jiji Thomas Joseph and Prabhakar P. Singh},
journal= {arXiv preprint arXiv:cond-mat/0512675},
year = {2015}
}