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cond-mat.mtrl-sci2026

Charge-Transfer Electronic Structure of NiX $_{2}$ (X = S, Se)

Atsushi Hariki, Takaki Okauchi, Daisuke Takegami +8

We investigate the electronic structures of NiS $_{2}$ and NiSe $_{2}$ using density functional theory combined with dynamical mean-field theory (DFT+DMFT). A realistic electronic struct…

Charge-Transfer Electronic Structure of NiX2​ (X = S, Se)

Charge-Transfer Electronic Structure of NiX $_{2}$ (X = S, Se)