Continuum Charge Excitations in High-Valence Transition-Metal Oxides Revealed by Resonant Inelastic X-Ray Scattering

Atsushi Hariki, Mathias Winder, and Jan Kuneš
Phys. Rev. Lett. 121, 126403 – Published 20 September 2018
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Abstract

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 local-density approximation+dynamical mean-field theory and a configuration interaction solver for Anderson impurity model, we calculate the L-edge RIXS and x-ray absorption spectra of high-valence transition-metal oxides LaCuO3 and NaCuO2. We analyze in detail the behavior of the FL feature and show how it is connected to the details of electronic and crystal structure. On the studied compounds we demonstrate how material details determine whether the electron-hole continuum can be excited in the L-edge RIXS process.

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  • Received 13 March 2018
  • Revised 18 July 2018

DOI:https://doi.org/10.1103/PhysRevLett.121.126403

© 2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Atsushi Hariki1, Mathias Winder1, and Jan Kuneš1,2

  • 1Institute for Solid State Physics, TU Wien, 1040 Vienna, Austria
  • 2Institute of Physics, Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czech Republic

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Issue

Vol. 121, Iss. 12 — 21 September 2018

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