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. 2020 Jun 17;11:3076. doi: 10.1038/s41467-020-16868-4

Fig. 3. One-particle properties of the MnSi correlated electronic structure.

Fig. 3

a Band structure from nonmagnetic DFT. Purple color marks the Mn(3d) character. b DFT+DMFT k-resolved spectral function in paramagnetic phase for U = 2 eV, JH = 0.65 eV in smaller window (left) and close to the Fermi level (right). High spectral density is noted as yellow in the color bar and low density as dark blue. The nonmagnetic DFT bands are overlayed (red lines). c k-integrated spectral function for different interaction strengths. Top: total spectrum with respective Mn(3d) occupation nd, Bottom: orbital-resolved projection onto the Mn(3d) states and the Si states. d Imaginary part of the Mn self-energy for different interaction strengths at small Matsubara frequencies ωn = (2n + 1) πT. Left: orbital-averaged –Im ΣMn(iωn) (symbols) with fitting function F(ωn)=Kωnα (lines). Right: orbital-resolved self-energies for U = 2 eV and JH= 0.35, 0.65 eV.