Antiferromagnetism in as -wave Pomeranchuk instability

KH Ahn, A Hariki, KW Lee, J Kuneš - Physical Review B, 2019 - APS
We present a computational study of antiferromagnetic transition in RuO 2. The rutile
structure with the magnetic sublattices coupled with π/2 rotation leads to a spin-polarized …

Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: Study

K Higashi, M Winder, J Kuneš, A Hariki - Physical Review X, 2021 - APS
Motivated by recent core-level x-ray photoemission spectroscopy, x-ray absorption
spectroscopy (XAS), and resonant inelastic x-ray scattering (RIXS) experiments for the newly …

Kondo quasiparticle dynamics observed by resonant inelastic x-ray scattering

MC Rahn, K Kummer, A Hariki, KH Ahn, J Kuneš… - Nature …, 2022 - nature.com
Effective models focused on pertinent low-energy degrees of freedom have substantially
contributed to our qualitative understanding of quantum materials. An iconic example, the …

Paramagnetic : A Highly Inhomogeneous Mixed Spin-State System

D Takegami, A Tanaka, S Agrestini, Z Hu, J Weinen… - Physical Review X, 2023 - APS
We investigate the electronic structure of LaCoO 3 across the gradual spin-state and
insulator-to-metal transitions using bulk-sensitive hard x-ray photoelectron and soft x-ray …

LDA+DMFT approach to core-level spectroscopy: Application to transition metal compounds

A Hariki, T Uozumi, J Kuneš - Physical Review B, 2017 - APS
We present a computational study of 2 p core-level x-ray photoemission spectra of transition
metal monoxides MO (M= Ni, Co, Mn) and sesquioxides M 2 O 3 (M= V, Cr, Fe) using a …

Tensile-Strain-Dependent Spin States in Epitaxial Thin Films

Y Yokoyama, Y Yamasaki, M Taguchi, Y Hirata… - Physical Review Letters, 2018 - APS
The spin states of Co 3+ ions in perovskite-type LaCoO 3, governed by the complex
interplay between the electron-lattice interactions and the strong electron correlations, still …

Direct Observation of Cr3+ 3d States in Ruby: Toward Experimental Mechanistic Evidence of Metal Chemistry

MOJY Hunault, Y Harada, J Miyawaki… - The Journal of …, 2018 - ACS Publications
The role of transition metals in chemical reactions is often derived from probing the metal 3d
states. However, the relation between metal site geometry and 3d electronic states, arising …

Charge-transfer effect in hard x-ray and photoemission spectra: and cluster-model analysis

M Ghiasi, A Hariki, M Winder, J Kuneš, A Regoutz… - Physical Review B, 2019 - APS
We study 1 s and 2 p hard x-ray photoemission spectra (XPS) in a series of late transition
metal oxides: Fe 2 O 3 (3 d 5), FeTiO 3 (3 d 6), CoO (3 d 7), and NiO (3 d 8). The …

: A High-Kondo-Temperature Transition-Metal Oxide

D Takegami, CY Kuo, K Kasebayashi, JG Kim… - Physical Review X, 2022 - APS
We present a comprehensive study of CaCu 3 Ru 4 O 12 using bulk sensitive hard and soft x-
ray spectroscopy combined with local-density approximation+ dynamical mean-field theory …

Electronic structure of ( = Y, La, Bi): Synthesis, characterization, core-level spectroscopies, high-pressure application, and ab initio calculation

Y Kato, MJ Huang, K Kasebayashi, T Kawakami… - Physical Review …, 2023 - APS
We present a comprehensive experimental and computational study on A-site ordered
perovskite oxides YCu 3 Co 4 O 12, LaCu 3 Co 4 O 12, and BiCu 3 Co 4 O 12 including …