SKM 2023 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 43: Poster: Correlated Electrons II

TT 43.14: Poster

Mittwoch, 29. März 2023, 15:00–18:00, P2/OG3

Order from disorder phenomena in BaCoS2 — •Benjamin Lenz1, Michele Fabrizio2, and Michele Casula11IMPMC, Sorbonne Université, CNRS, MNHN, 4 Place Jussieu, 75005 Paris, France — 2International School for Advanced Studies (SISSA), Via Bonomea 265, I-34136 Trieste, Italy

We investigate different nematic and orbital ordered instabilities in the antiferromagnetic insulating phase of BaCoS2, which shows a Néel transition at a surprisingly high temperature of TN∼300 K. Based on ab initio simulations, we discuss several competing orders in terms of magnetic order, orbital composition and structural distortions to identify a set of nematic and orbital ordered states as possible candidates for the ground state. From these considerations we derive an effective spin model of J1J2J3 type and discuss the consequences of the most probable, orbital ordered ground state for its parametrization. We finally identify a driving mechanism which allows to explain the high Néel temperature by C4-symmetry breaking through orbital order and draw parallels to other quasi-2D materials such as pnictides.

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