Dresden 2020 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 33: Correlation Theory I

MA 33.8: Vortrag

Mittwoch, 18. März 2020, 11:30–11:45, HSZ 403

Ab-initio calculations of magnetic properties of Ba2YIrO6 — •Hermann Schnait — TU Graz

The strongly correlated double perovskite Ba2YIrO6 (electronic configuration 5d4) shows unexpected magnetic properties in experiment. We investigate this behaviour using DFT+DMFT techniques including spin-orbit coupling, within the t2g manifold.

As some experiments claim a magnetic ordering temperature of about 3K and CTQMC impurity solvers would not be able to yield results in this regime, a novel MPS-based solver for multi-orbital systems (Fork-Tensor Product States - FTPS) is employed for T=0K calculations. The magnetic moment is measured both at T=0K and at finite temperatures and possible long-range antiferromagnetic ordering is investigated.

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