Berlin 2018 – wissenschaftliches Programm

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DS: Fachverband Dünne Schichten

DS 24: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials V (joint session O/MM/DS/TT/CPP)

DS 24.3: Vortrag

Mittwoch, 14. März 2018, 15:45–16:00, HL 001

Role of non-local correlations in doped Sr₂IrO₄ — •Benjamin Lenz¹, Cyril Martins², and Silke Biermann^1,3 — ¹Centre de Physique Théorique, Ecole Polytechnique, CNRS UMR 7644, Université Paris-Saclay, 91128 Palaiseau, France — ²Laboratoire de Chimie et Physique Quantiques, UMR 5626, Université Paul Sabatier, 118 route de Narbonne, 31400 Toulouse, France — ³Collège de France, 11 place Marcelin Berthelot, 75005 Paris, France

When doping the spin-orbit system Sr₂IrO₄ recent photoemission experiments found pseudogap behavior at low temperatures, which raises the question of its relation to the pseudogap found in high-Tc superconducting copper oxides.

Here, we study the evolution of the electronic structure of Sr₂IrO₄ upon electron- and hole-doping by combining ab-initio density functional theory and two quantum cluster techniques. Our treatment includes the effects of spin-orbit coupling, distortions of the oxygen octahedra and Hubbard interactions on a first-principles level. We show that short-range antiferromagnetic fluctuations are crucial to account for the electronic properties of the material even in the high-temperature paramagnetic phase. Furthermore, pseudogap features in the momentum-resolved spectral function of the emerging exotic metallic state are analyzed and found to be in good agreement with experiment.