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We analyze the momentum- and temperature dependences of the magneticsusceptibilities and magnetic exchange interaction in paramagnetic bcc iron bya combination of density functional theory and dynamical mean-field theory(DFT+DMFT). By considering a general derivation of the orbital-resolvedeffective model for spin degrees of freedom for Hund's metals, we relatemomentum-dependent susceptibilities in the paramagnetic phase to the magneticexchange. We then calculate non-uniform orbital-resolved susceptibilities athigh-symmetry wave vectors by constructing appropriate supercells in the DMFTapproach. Extracting the irreducible parts of susceptibilities with respect toHund's exchange interaction, we determine the corresponding orbital-resolvedexchange interactions, which are then interpolated to the whole Brillouin zone.Using the spherical model we estimate the temperature dependence of theresulting exchange between local moments.

Momentum-dependent susceptibilities and magnetic exchange in bcc iron from supercell DMFT calculations