Magnetic and f-electron effects in LaNiO2 and NdNiO2 nickelates with cuprate-like $$3{d}_{{x}^{2}-{y}^{2}}$$ 3 d x 2 − y 2 band

Abstract

The recent discovery of superconducting nickelates has reignited interest in these materials and whether they can shed light on the mechanism of unconventional superconductivity in the cuprates. Here, the authors use first principles calculations to investigate the f electrons and magnetic ordering effects in the infinite layer nickelates and elaborate on the role of the cuprate-like 3dx2-y2 band.