Exploring d-Wave Magnetism in Cuprates from Oxygen Moments

Abstract

The antiferromagnetic parent phase of high-T${}_c$ cuprates has been established as a Néel state of copper moments, but early work pointed out the important role of ligand oxygen orbitals. Using the three-orbital Emery model, we explore how, and under which conditions, doping-induced antiferromagnetic ordering of weak magnetic moments on the oxygen sites can lead to unconventional d-wave magnetism with spin-split electronic bands. The mechanism for forming such altermagnetic (AM) states in cuprates does not rely on a lowering of the crystal symmetry but rather on interaction-induced formation of magnetic moments on directional oxygen orbitals within the crystallographic unit cell. Therefore, we obtain two different types of AM, namely a (0,0)-AM and a ($\pi$,$\pi$)-AM. We explore different regimes and challenges for realizing oxygen AM supported by Hartree-Fock calculations and complementary exact diagonalization of small clusters. While the region of interacting parameters needed to realize these states may be difficult to achieve in known high-T${}_c$ cuprates, we propose a scenario to realize AM induced by oxygen magnetic moments in a cuprate-based candidate compound using density functional theory and discuss experimental implications.

Accepted version to Physical Review B: modified the title and abstract; replaced ED calculations for two-Cu cluster by four-Cu clusters

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