X-ray spectroscopy of the rare-earth nickelate LuNiO3: LDA+DMFT study

Mathias Winder, Atsushi Hariki, and Jan Kuneš
Phys. Rev. B 102, 085155 – Published 31 August 2020
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Abstract

We present a computational study of resonant inelastic x-ray scattering (RIXS) and x-ray absorption in a representative rare-earth nickelate LuNiO3. We study the changes in the spectra across the metal-insulator/site-disproportionation transition. In particular, we address the question of site selectivity of the two methods in the disproportionated insulating phase and the signature of metal-insulator transition in the fluorescencelike feature of the RIXS spectra. To this end we use the local-density approximation + dynamical mean-field theory approach combined with the configuration integration method to compute the core-level spectra.

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  • Received 7 April 2020
  • Accepted 11 August 2020

DOI:https://doi.org/10.1103/PhysRevB.102.085155

©2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Mathias Winder1, Atsushi Hariki1,2,*, and Jan Kuneš1,3,†

  • 1Institute of Solid State Physics, TU Wien, 1040 Vienna, Austria
  • 2Department of Physics and Electronics, Graduate School of Engineering, Osaka Prefecture University, 1-1 Gakuen-cho, Nakaku, Sakai, Osaka 599-8531, Japan
  • 3Institute of Physics, Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czechia

  • *hariki@pe.osakafu-u.ac.jp
  • kunes@ifp.tuwien.ac.at

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Issue

Vol. 102, Iss. 8 — 15 August 2020

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