Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2009-05-25
Physics
Condensed Matter
Strongly Correlated Electrons
7 pages, 6 figures, 2 tables; rewritten per referees comments
Scientific paper
We explored the anomalously low moment in MnSi found by experiment (~0.4 $\mu_{\text{B}}$/Mn) vs the moment predicted by density functional theory (~1.0 $\mu_{\text{B}}$/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.
Browne Dana A.
Collyer Robert D.
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