Regensburg 2022 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
TT: Fachverband Tiefe Temperaturen
TT 12: Correlated Electrons: Materials
TT 12.7: Vortrag
Dienstag, 6. September 2022, 11:00–11:15, H22
Electronic structure of CeTAl3 (T=Ag, Au, Cu, Pd, Pt) studied with density functional theory — •André Deyerling1, Andreas Bauer1, Christian Franz2, Marc A. Wilde1, and Christian Pfleiderer1 — 1Physics Department, Technical University Munich, Garching, Germany — 2Jülich Centre for Neutron Science (JCNS) at Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany
The CeTAl3 family (T=Ag, Au, Cu, Pd, Pt) is prototypical of strongly correlated electron systems with a large variety of different magnetic ordering phenomena [1,2,3,4], such as ferromagnetism in CeAgAl3 and incommensurate antiferromagnetism in CeAuAl3. Further, in CeAuAl3 [5] and CeCuAl3 [6] magnetoelastic hybrid excitations between crystal electric fields and phonons have been observed. The electronic structure, and in particular the role of the Ce–4f electron, is key for understanding the mechanism driving these phenomena. We report electronic structure calculations for selected members of the CeTAl3 family, where the Ce–4f electrons are described either as being itinerant or localized using DFT or DFT+U, respectively. The results of our calculations treating the 4f electrons as localized are in good agreement with the experimental data available.
[1] C. Franz et al., J. Alloy. Comp. 668, 978 (2016)
[2] D.T. Adroja et al., Phys. Rev. B 91, 134425 (2015)
[3] M. Klipcera et al., Phys. Rev. B 91, 224419 (2015)
[4] M. Stekiel et al., arXiv:2106.08194 (2021)
[5] P. Cermák et al., Proc. Natl. Acad. Sci. 116, 6695 (2019)
[6] D.T Adroja et al., Phys. Rev. Lett. 108, 216402 (2012)