213 citations · 457 across the 6 of their papers we have counts for
7 papers
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…
Yb 4f-Ta 5d Hybridization and Valence Evolution in Tetragonal Tungsten Bronze Ba(3-x)YbxTa5O15
Daisuke Takegami, Haruki Takei, Masato Yoshimura +2
Here we investigate the electronic structure of the tetragonal tungsten bronze BaYbTaO by making use of hard x-ray photoemission spectroscopy. The core lev…
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…
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…
Charge and orbital ordering in underdoped La1-xSrxMnO3
T. Mizokawa, D. I. Khomskii, G. A. Sawatzky
We have explored spin, charge and orbitally ordered states in La1-xSrxMnO3 (0 < x < 1/2) using model Hartree-Fock calculations on d-p-type lattice models. At x=1/8, several charge…
Spin and charge ordering in self-doped Mott insulators
T. Mizokawa, D. I. Khomskii, G. A. Sawatzky
We have investigated possible spin and charge ordered states in 3d transition-metal oxides with small or negative charge-transfer energy, which can be regarded as self-doped Mott i…
Interplay between orbital ordering and lattice distortions in LaMnO3, YVO3, and YTiO3
T. Mizokawa, D. I. Khomskii, G. A. Sawatzky
We have studied the interplay between orbital ordering, Jahn-Teller and GdFeO3-type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculat…