The Role of Correlations in the Magnetic Moment of MnSi
We explored the anomalously low moment in MnSi found by experiment (~0.4 $μ_{\text{B}}$/Mn) vs the moment predicted by density functional theory (~1.0 $μ_{\text{B}}$/Mn). With the addition of a Hubbard-U correction, we found several solutions with lower moments. These lower moment solutions show an unusual magnetic order and a magnetic quadrupole moment. The behavior of the moment under pressure does not follow the experimental trend.
cond-mat.str-el↗