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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 Geffroy^1,2, Kyo-Hoon Ahn¹, Hoshin Gong⁴, and Jan Kuneš^1,3 — 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)