X-ray spectroscopy of the rare-earth nickelate LuNiO.sub.3./sub.: LDA+DMFT study

0538987 - FZÚ 2021 RIV US eng J - Journal Article
Winder, M. - Hariki, A. - Kuneš, Jan
X-ray spectroscopy of the rare-earth nickelate LuNiO₃: LDA+DMFT study.
Physical Review B. Roč. 102, č. 8 (2020), s. 1-6, č. článku 085155. ISSN 2469-9950. E-ISSN 2469-9969
EU Projects: European Commission(XE) 646807 - EXMAG
Institutional support: RVO:68378271
Keywords : resonant inelastic x-ray scattering * dynamical mean-field theory * strong electronic correlations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.036, year: 2020
Method of publishing: Limited access
https://doi.org/10.1103/PhysRevB.102.085155

We present a computational study of resonant inelastic x-ray scattering (RIXS) and x-ray absorption in arepresentative 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 thedisproportionated insulating phase and the signature of metal-insulator transition in the fluorescencelike featureof the RIXS spectra. To this end we use the local-density approximation+dynamical mean-field theory approachcombined with the configuration integration method to compute the core-level spectra.

Permanent Link: http://hdl.handle.net/11104/0316718