Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Momentum-dependent susceptibilities and magnetic exchange in bcc iron
  from supercell DMFT calculations   We analyze the momentum- and temperature dependences of the magnetic
susceptibilities and magnetic exchange interaction in paramagnetic bcc iron by
a combination of density functional theory and dynamical mean-field theory
(DFT+DMFT). By considering a general derivation of the orbital-resolved
effective model for spin degrees of freedom for Hund's metals, we relate
momentum-dependent susceptibilities in the paramagnetic phase to the magnetic
exchange. We then calculate non-uniform orbital-resolved susceptibilities at
high-symmetry wave vectors by constructing appropriate supercells in the DMFT
approach. Extracting the irreducible parts of susceptibilities with respect to
Hund's exchange interaction, we determine the corresponding orbital-resolved
exchange interactions, which are then interpolated to the whole Brillouin zone.
Using the spherical model we estimate the temperature dependence of the
resulting exchange between local moments.

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The categories of this paper are: chao-dyn
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The categories of this paper are: eess
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The categories of this paper are: stat
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The categories of this paper are: patt-sol
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The categories of this paper are: chem-ph
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The categories of this paper are: mtrl-th
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The categories of this paper are: solv-int
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The categories of this paper are: gr-qc
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The categories of this paper are: math
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The categories of this paper are: quant-ph
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The categories of this paper are: hep-lat
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The categories of this paper are: cmp-lg
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The categories of this paper are: ao-sci
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The categories of this paper are: cs
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The categories of this paper are: dg-ga
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The categories of this paper are: q-fin