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LDA plus DMFT approach to resonant inelastic x-ray scattering in correlated materials

SYSNO ASEP	0534804
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	LDA plus DMFT approach to resonant inelastic x-ray scattering in correlated materials
Author(s)	Hariki, A. (AT) Winder, M. (AT) Uozumi, T. (JP) Kuneš, Jan (FZU-D)_{RID, ORCID, SAI}
Number of authors	4
Article number	115130
Source Title	Physical Review B. - : American Physical Society - ISSN 2469-9950 Roč. 101, č. 11 (2020), s. 1-9
Number of pages	9 s.
Language	eng - English
Country	US - United States
Keywords	resonant inelastic x-ray scattering
Subject RIV	BM - Solid Matter Physics ; Magnetism
OECD category	Condensed matter physics (including formerly solid state physics, supercond.)
Method of publishing	Limited access
Institutional support	FZU-D - RVO:68378271
UT WOS	000519990500002
EID SCOPUS	85083229477
DOI	10.1103/PhysRevB.101.115130
Annotation	We present a computational study of resonant inelastic x-ray scattering (RIXS) at the L edges of selected 3d transition-metal oxides using a combination of the density-functional theory and the dynamical mean-field theory (DMFT). The present method, built around the Anderson impurity model with a DMFT-optimized continuum bath, can be viewed as an extension of the cluster model that allows us to include unbound electron-hole pair excitations and to substantially reduce the number of empirical parameters. We find a good agreement with available experimental data and discuss the relationship between the electronic structure and fluorescencelike features in the RIXS spectra.
Workplace	Institute of Physics
Contact	Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579
Year of Publishing	2021
Electronic address	https://doi.org/10.1103/PhysRevB.101.115130

Number of the records: 1