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TT: Fachverband Tiefe Temperaturen

TT 30: Complex Oxides

TT 30.2: Talk

Wednesday, March 29, 2023, 09:45–10:00, HSZ 204

Revsisiting magnetic and orbital ordering in V₂O₃ — Louis-Victor Schäfer and •Maria Daghofer — Institut für funktionelle Materie und Quantentechnologien, Universität Stuttgart

We revisit the correlated bands of V2O3 using the variational cluster approximation. Starting from various sets of one-particle parameters discussed in the literature, double counting of correlations turns out to be relevant here, as also reported in the literature. Settling onto consistent parameters, we then find that a careful treatment of inter-layer dimers is crucial to reproduce the experimentally observed magnetic ordering. Additionally, bonds in the planes orthogonal to the dimers affects orbital densities. Antiferromagnetic ordering is the found to go in hand with orbital symmetry breaking within the e_g sector. We find any models that reproduce the measured a_1g orbital densities also leads to active orbital degrees of freedom above the Neel transition.