Dresden 2020 – wissenschaftliches Programm
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MA 3.5: 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. 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.
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