Berlin 2018 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 72: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials V (joint session O/MM/DS/TT/CPP)
O 72.2: Vortrag
Mittwoch, 14. März 2018, 15:30–15:45, HL 001
Spectral properties of Sr2IrO4 from first principles — •Cyril Martins1, Benjamin Lenz2, and Silke Biermann2,3 — 1Laboratoire de Chimie et Physique Quantiques, UMR 5626, Université Paul Sabatier, 118 route de Narbonne, 31400 Toulouse, France — 2Centre de Physique Théorique, Ecole Polytechnique, CNRS UMR 7644, Université Paris-Saclay, 91128 Palaiseau, France — 3Collège de France, 11 place Marcelin Berthelot, 75005 Paris, France
The spin-orbit system Sr2IrO4 has raised tremendous interest recently, due to intriguing similarities to the high-Tc superconducting copper oxides.
We study the evolution of the electronic structure of Sr2IrO4 using a combination of ab-initio density functional theory and many-body techniques. The effects of spin-orbit coupling, distortions of the oxygen octahedra and Hubbard interactions are included on a first-principles level. We calculate the momentum-resolved spectral function and compare to recent photoemission data, finding good agreement with experiment.