Low-order hybridization expansions fail in multi-orbital systems because the least correlated orbital suppresses correlation features across all orbitals through spurious couplings generated by the truncation.
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DFT+DMFT calculations on americium show partial 5f delocalization under pressure with valence mixing and link high-pressure phase stability to symmetry-lowering Peierls distortions.
Cr substitution induces hole doping and Hund's correlations in BaFe2As2, with superconductivity suppressed by local-moment competition instead of Fermi-surface evolution.
citing papers explorer
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Validity and Limits of Low Order Hybridization Expansion Approaches for Multi-Orbital Systems
Low-order hybridization expansions fail in multi-orbital systems because the least correlated orbital suppresses correlation features across all orbitals through spurious couplings generated by the truncation.
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Correlated 5f electronic states and phase stability in americium under high pressure: Insights from DFT+DMFT calculations
DFT+DMFT calculations on americium show partial 5f delocalization under pressure with valence mixing and link high-pressure phase stability to symmetry-lowering Peierls distortions.
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Hole doping and electronic correlations in Cr-substituted BaFe$_{2}$As$_{2}$
Cr substitution induces hole doping and Hund's correlations in BaFe2As2, with superconductivity suppressed by local-moment competition instead of Fermi-surface evolution.