Symmetry breaking in Kohn-Sham DFT reduces the Fermi-level density of states in strongly correlated metals, and the new parameter Gamma identifies strong correlation using only the KS one-electron density of states.
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Charge disproportionation stabilizes the monoclinic semiconducting state in Fe₂PO₅ and enables its room-temperature d-wave altermagnetism.
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Identifying strong correlation using only the Kohn-Sham density of one-electron states
Symmetry breaking in Kohn-Sham DFT reduces the Fermi-level density of states in strongly correlated metals, and the new parameter Gamma identifies strong correlation using only the KS one-electron density of states.
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Key Role of Charge Disproportionation in Monoclinic Semiconducting Fe$_2$PO$_5$, a Room-Temperature d-Wave Altermagnet Candidate
Charge disproportionation stabilizes the monoclinic semiconducting state in Fe₂PO₅ and enables its room-temperature d-wave altermagnetism.