Multiband d-p Model for the Description of Sr2RuO4

K. Rościszewskia and A.M. Oleśa,b aMarian Smoluchowski Institute of Physics, Jagiellonian University, W.S. Reymonta 4, PL-30-059 Kraków, Poland bMax-Planck Institut für Festkörperforschung, Heisenbergstr. 1, D-70569 Stuttgart, Germany

Full Text PDF

We study electronic structure of multiband d-p model describing RuO4 layer such as realized in Sr2RuO4. The model takes into account nearest-neighbor anisotropic ruthenium-oxygen and oxygen-oxygen hoppings, intra-atomic Coulomb interaction, Hund's exchange and in addition spin-orbit coupling on ruthenium. The RuO4 is universally considered as a pure t2g system (with eg orbitals empty) due to sizable gap between t2g and eg levels. We show that ruthenium eg orbitals are in fact occupied, similarly like showed earlier for CoO2 layers.

DOI: 10.12693/APhysPolA.127.260 PACS numbers: 75.25.Dk, 75.47.Lx, 71.70.Ej