59 citations · 93 across the 5 of their papers we have counts for
6 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…
Incipient magnetic instability in RuO with random phase approximation
Diana Csontosová, Kyo-Hoon Ahn, Jan Kuneš
We study the instability in RuO using the Hartree-Fock approximation followed by the random phase approximation. We employ a three-orbital Hubbard model without spin-orbit coup…
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…
Hidden covalent insulator and spin excitations in SrRuO
D. Csontosová, J. Chaloupka, H. Shinaoka +2
The density functional plus dynamical mean-field theory is used to study the spin excitation spectra of SrRuO. A good quantitative agreement with experimental spin excitati…
Excitonic dispersion of the intermediate-spin state in LaCoO revealed by resonant inelastic X-ray scattering
Ru-Pan Wang, Atsushi Hariki, Andrii Sotnikov +9
More than 50 years ago the electron-hole attraction was proposed to drive narrow gap semiconductors or semimetals to a new phase, the excitonic insulator. The experimental proof of…
LDA+DMFT approach to core-level spectroscopy: application to 3d transition metal compounds
Atsushi Hariki, Takayuki Uozumi, Jan Kuneš
We present a computational study of 2 core-level X-ray photoemission spectra of transition metal monoxides MO (M=Ni, Co, Mn) and sesquioxides MO (M=V, Cr, Fe) using a th…