Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session W07: Cerium, Plutonium, and Uranium Based Materials
3:00 PM–5:48 PM,
Thursday, March 7, 2024
Room: L100H
Sponsoring
Unit:
DCMP
Chair: Nicholas Sirica, Los Alamos National Laboratory (LANL)
Abstract: W07.00009 : Advanced Line Shape Analysis of Core to Valence Resonant Inelastic X-Ray Scattering spectra for Ce-based Kondo Materials
4:36 PM–4:48 PM
Presenter:
Michelangelo Tagliavini
(Institute for Theoretical Physics, Heidelberg University)
Authors:
Michelangelo Tagliavini
(Institute for Theoretical Physics, Heidelberg University)
Maurits W Haverkort
(Institute of theoretical physics Heidelberg University)
Silke Paschen
(Vienna University of Technology)
Federico Mazza
(Vienna University of Technology)
Kurt Kummer
(European Synchrotron Radiation Facility)
Andrey Prokofiev
(Vienna University of Technology)
With the aid of density functional theory-based dynamical mean-field theory calculations using Quanty (www.Quanty.org) we can relate the line shape of the f -f transitions to the hybridization function in these materials. Theoretically obtained hybridization functions from DFT agree reasonably, albeit not perfectly,
with the experimentally determined interactions. Our results show a direct relation between the hybridization function, the Kondo temperature, and crystal fields present in these two materials.
[1] L. J. P. Ament et al., Rev. Mod. Phys. 83, 705–767 (2011).
[2] A. Amorese et al., Phys. Rev. B 98, 081116(R) (2018).
[3] A. Prokofiev et al., Nat. Mater. 12, 1096 (2013).
[4] A. M. Strydom et al., Physica B 359–361, 293 (2005).
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