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Electronic correlations arising from anti-Stoner spin excitations: an ab initio study of itinerant ferro- and antiferromagnet

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arxiv 2406.12291 v2 pith:WMXZYZ3C submitted 2024-06-18 cond-mat.mtrl-sci

Electronic correlations arising from anti-Stoner spin excitations: an ab initio study of itinerant ferro- and antiferromagnet

classification cond-mat.mtrl-sci
keywords excitationsspinanti-stonerantiferromagnetdensitiesferromagnetsinitiointeraction
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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The anti-Stoner excitations are a spin-flips in which, effectively, an electron is promoted from a minority to a majority spin state, i.e., complementary to Stoner excitations and spin-waves. Since their spectral power is negligible in strong itinerant ferromagnets and they are identically absent in the ferromagnetic Heisenberg model, their properties and role in correlating electrons were hardly investigated so far. On the other hand, they are present in weak ferromagnets, fcc Ni being a prominent example, and both types of spin-flips (down-to-up and up-to-down) must be treated on the equal footing in systems with the degenerate spin up and down bands, in particular antiferromagnets in which case we choose CrSb as a model system. For these two materials we evaluate the strength of the effective interaction between the quasiparticles and the gas of virtual spin-flip excitations. To this end, we compute the corresponding self-energy taking advantage of our novel efficient \textit{ab initio} numerical scheme. We find that in Ni the band-structure renormalization due to the anti-Stoner processes is weaker than the one due to Stoner-type magnons in the majority spin channel but the two become comparable in the minority one. The effect can be traced back primarily to the spectral strength of the respective spin excitations and the densities of the final available quasiparticle states in the scattering process. For the antiferromagnet, the situation is more complex and we observe that the electron-magnon interaction is sensitive not only to these densities of states but critically to the spatial shapes of the coupling magnonic modes as well.

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