344 citations · 1k across the 27 of their papers we have counts for
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Quantifying the U covalence and degree of localization in U intermetallics
Andrea Marino, Denise S. Christovam, Daisuke Takegami +17
A procedure for quantifying the U electrons' covalence and degree of localization in U intermetallic compounds is presented. To this end, bulk sensitive hard and soft x-ray ph…
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…
X-ray Magnetic Circular Dichroism in RuO
A. Hariki, Y. Takahashi, J. Kuneš
We present numerical simulation of the X-ray magnetic circular dichroism (XMCD) of the and edges of Ru in antiferromagnetic RuO using a combination of densi…
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…
Single- and Multimagnon Dynamics in Antiferromagnetic -FeO Thin Films
Jiemin Li, Yanhong Gu, Yoshihiro Takahashi +8
Understanding the spin dynamics in antiferromagnetic (AFM) thin films is fundamental for designing novel devices based on AFM magnon transport. Here, we study the magnon dynamics i…
Kondo quasiparticle dynamics observed by resonant inelastic x-ray scattering
M. C. Rahn, K. Kummer, A. Hariki +18
Effective models focused on pertinent low-energy degrees of freedom have substantially contributed to our qualitative understanding of quantum materials. An iconic example, the Kon…
CaCuRuO: a high Kondo-temperature transition metal oxide
D. Takegami, C. Y. Kuo, K. Kasebayashi +26
We present a comprehensive study of CaCuRuO using bulk sensitive hard and soft x-ray spectroscopy combined with local-density approximation (LDA) + dynamical mean-fi…
Valence skipping, internal doping and site-selective Mott transition in PbCoO under pressure
Atsushi Hariki, Kyo-Hoon Ahn, Jan Kuneš
We present a computational study of PbCoO at ambient and elevated pressure. We employ the static and dynamic treatment of local correlation in form of density functional theory…
Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: LDA+DMFT Study
Keisuke Higashi, Mathias Winder, Jan Kuneš +1
Motivated by recent core-level x-ray photoemission spectroscopy (XPS), x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS) experiments for the newly-…
Hard x-ray photoemission study on strain effect in LaNiO thin films
K. Yamagami, K. Ikeda, A. Hariki +7
The strain effect from a substrate is an important experimental route to control electronic and magnetic properties in transition-metal oxide (TMO) thin films. Using hard x-ray pho…
X-ray spectroscopy of rare-earth nickelate LuNiO: LDA+DMFT study
Mathias Winder, Atsushi Hariki, Jan Kuneš
We present a computational study of resonant inelastic x-ray scattering (RIXS) and x-ray absorption in a representative rare-earth nickelate LuNiO. We study the changes in the…
Damping of spinful excitons in LaCoO by thermal fluctuations: Theory and experiment
Atsushi Hariki, Ru-Pan Wang, Andrii Sotnikov +7
We present Co -edge resonant inelastic x-ray scattering (RIXS) of bulk LaCoO across the thermally-induced spin-state crossover around 100~K. Owing to a high energy resolut…
LDA+DMFT approach to resonant inelastic x-ray scattering in correlated materials
Atsushi Hariki, Mathias Winder, Takayuki Uozumi +1
We present a computational study of -edge resonant inelastic x-ray scattering (RIXS) in correlated 3 transition-metal oxides using an method based on local dens…
Metal-insulator transition in CaCuFeO
Atsushi Hariki, Tatsuya Yamaguchi, Mathias Winder +1
We study structurally-triggered metal-insulator transition in CaCuFeO by means of local density approximation (LDA) + and LDA+dynamical mean-field theory (DMFT).…
Antiferromagnetism in RuO as -wave Pomeranchuk instability
Kyo-Hoon Ahn, Atsushi Hariki, Kwan-Woo Lee +1
We present a computational study of antiferromagnetic transition in RuO. The rutile structure with the magnetic sublattices coupled by -rotation leads to a spin-polarized…
Pressure-induced spin-state ordering in SrCoOF
Juan Fernández Afonso, Andrii Sotnikov, Atsushi Hariki +1
We study theoretically low-temperature phases of a recently synthesized compound SrCoOF under pressure. The analysis combining LDA+DMFT and a strong-coupling effective mode…
Collective Modes in Excitonic Magnets: Dynamical Mean-Field Study
D. Geffroy, J. Kaufmann, A. Hariki +3
We present a dynamical mean-field study of dynamical susceptibilities in two-band Hubbard model. Varying the model parameters we analyze the two-particle excitations in the normal…
Continuum Charge Excitations in High-Valence Transition-Metal Oxides Revealed by Resonant Inelastic X-ray Scattering
Atsushi Hariki, Mathias Winder, Jan Kuneš
We present a theoretical investigation of the origin of Raman-like and fluorescencelike (FL) features of resonant inelastic x-ray scattering (RIXS) spectra. Using a combination of…
Excitonic magnet in external field: complex order parameter and spin currents
D. Geffroy, A. Hariki, J. Kunes
We investigate spin-triplet exciton condensation in the two-orbital Hubbard model close to half filling by means of dynamical mean-field theory. Employing an impurity solver that h…
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…
DFT+DMFT study on soft moment magnetism and covalent bonding in SrRuO
Atsushi Hariki, Andreas Hausoel, Giorgio Sangiovanni +1
Dynamical mean-field theory is used to study the three orbital model of the compound SrRuO both with and without explicitly including the O- states. Depending on t…
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…