While key attention in transition-metal oxides is usually devoted to the d states of the transition-metal ion, the O(2p) states usually also carry important physics. We here examine these p states in representatives of the novel superconducting nickelates, as described in realistic dynamical mean-field theory. Since the materials are located on the boundary between Mott-Hubbard and charge-transfer systems, the role of oxygen is expectedly subtle. Strong reduction of doped holes on oxygen and first asymmetry effects are featured in infinite-layer nickelates. A pronounced nature of bridging pz orbitals is identified in the La3Ni2O7 system.
@article{arxiv.2410.06891,
title = {On the oxygen $p$ states in superconducting nickelates},
author = {Frank Lechermann},
journal= {arXiv preprint arXiv:2410.06891},
year = {2025}
}