Fig. 5: Comparison of DFT \(+\,{U}_{{{{\rm{Mn}}}}}^{3d}\) and experimental magnetizations. | npj Quantum Materials

Fig. 5: Comparison of DFT \(+\,{U}_{{{{\rm{Mn}}}}}^{3d}\) and experimental magnetizations.

From: The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6

Fig. 5: Comparison of DFT  $$+\,{U}_{{{{\rm{Mn}}}}}^{3d}$$ + U Mn 3 d and experimental magnetizations.

a Mn atomic magnetic moments using Löwdin populations, b cell spin magnetization per formula unit. The green-shaded regions represent the envelope of various experimental measurements1,6,7,18,20,23,24. In b, the experimental cell magnetization was added with the Tb orbital magnetization of \({M}_{{{{\rm{Tb}}}}}^{{{{\rm{orb}}}}}=2.96\,{\mu }_{{{{\rm{B}}}}}\)2 for a proper comparison, \({M}^{{{{\rm{s}}}}}={M}_{\exp }^{{{{\rm{total}}}}}+{M}_{{{{\rm{Tb}}}}}^{{{{\rm{orb}}}}}\).

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