We study the correlated electronic structure of single-layer iridates based on structurally-undistorted Ba2IrO4. Starting from the first-principles band structure, the interplay between local Coulomb interactions and spin-orbit coupling is investigated by means of rotational-invariant slave-boson mean-field theory. The evolution from a three-band description towards an anisotropic one-band (J=1/2) picture is traced. Single-site and cluster self-energies are used to shed light on competing Slater- and Mott-dominated correlation regimes. We reveal a clear asymmetry between electron and hole doping, notably in the nodal/anti-nodal Fermi-surface dichotomy at strong coupling. Electron-doped iridates appear comparable to hole-doped cuprates due to the different sign of the next-nearest-neighbor hopping t′.
@article{arxiv.1504.04310,
title = {Low-Energy Model and Electron-Hole Doping Asymmetry of Single-Layer Ruddlesden-Popper Iridates},
author = {Alexander Hampel and Christoph Piefke and Frank Lechermann},
journal= {arXiv preprint arXiv:1504.04310},
year = {2015}
}
Comments
Added new calculations for the four-site cluster: 8 pages, 9 figures