Dresden 2020 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 4: Complex Oxides: Bulk Properties (jointly with DS, HL, KFM, MA, O) (joint session TT/HL/MA)
HL 4.5: Vortrag
Montag, 16. März 2020, 10:30–10:45, HSZ 201
Ca2RuO4: DFT + DMFT study of the magnetic order and dynamical susceptibility — •Dominique Geffroy1,2, Kyo-Hoon Ahn1, Hoshin Gong4, and Jan Kuneš1,3 — 1TU Wien, Vienna, Austria — 2Masaryk University, Brno, Czech Republic — 3Czech Academy of Science, Prague, Czech Republic — 4Max Planck POSTECH/Korea Research Initiative, Pohang, Korea
Relativistic Mott insulators are complex compounds in which spin and orbital degrees of freedom become entangled due to a large spin-orbit coupling. Previous studies, both experimental and theoretical[1, 2], have shown that they are good candidates for novel forms of order, including excitonic magnetism[3]. We report results on the theoretical study of the prototypical relativistic Mott insulator Ca2RuO4. We use a realistic ab initio DFT + DMFT approach including SU(2) Coulomb interaction and spin-orbit coupling. The emergence of anti-ferromagnetic order at low temperature is correctly described. We present and discuss the spectra of the the collective modes in the ordered phase within the DMFT approximation.
[1] Jain et al., Nat. Physics 13, 633 (2017)
[2] G. Zhang and E. Pavarini, Phys. Rev. B 95, 075145 (2017)
[3] A. Akbari and G. Khaliullin, Phys. Rev. B 90, 035137 (2014)