3 papers
cond-mat.mtrl-sci2026
Charge-Transfer Electronic Structure of NiX (X = S, Se)
Atsushi Hariki, Takaki Okauchi, Daisuke Takegami +8
We investigate the electronic structures of NiS and NiSe using density functional theory combined with dynamical mean-field theory (DFT+DMFT). A realistic electronic struct…
cond-mat.str-el2025
Valency, charge-transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7
Daisuke Takegami, Takaki Okauchi, Edgar Abarca Morales +14
We examine the bulk electronic structure of Nd3Ni2O7 using Ni 2p core-level hard x-ray photoemission spectroscopy combined with density functional theory + dynamical mean-field the…
cond-mat.str-el2023
Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO and PbNiO revealed by hard x-ray photoemission spectroscopy
Tatsuya Yamaguchi, Mizuki Furo, Yuki Sakai +11
Perovskites with Bi or Pb on the A-site host a number of interesting and yet to be understood phenomena such as negative thermal expansion in BiNiO. We employ hard x-ray photoe…