Regensburg 2025 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 7: Correlated Electrons: Electronic Structure Calculations

TT 7.6: Vortrag

Montag, 17. März 2025, 16:15–16:30, H31

Antiferromagnetism in iridates revisited: Mott versus Slater physics — Francesco Cassol, Michele Casula, and •Benjamin Lenz — IMPMC, Sorbonne University - CNRS, Paris, France

Since its discovery, the antiferromagnetic low-temperature phase of the iridates Ba₂IrO₄ and Sr₂IrO₄ has been subject to numerous studies. Whereas their underlying spin-orbit entangled ground state of a half-filled j_eff=1/2 orbital is well accepted, the origin and nature of the antiferromagnetism is still debated. Are the materials classical Mott insulators or is the antiferromagnetism rather of Slater type? In this talk, we will revisit the question based on dynamical mean-field theory (DMFT) calculations that include the j_eff=1/2 and j_eff=3/2 states within the DMFT self-consistency. Comparing to both experiment and ab initio simulations from literature, we will depict a complex phase diagram at the crossroads between Slater and Mott physics.

Keywords: Iridates; DMFT; Mott insulator; Slater insulator; Strongly correlated electron material