Orbital inversion and emergent lattice dynamics in infinite layer CaCoO${}_2$

Abstract

The layered cobaltate CaCoO${}_2$ exhibits a unique herringbone-like structure. Serving as a potential prototype for a new class of complex lattice patterns, we study the properties of CaCoO${}_2$ using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). Our results reveal a significant inter-plane hybridization between the Ca $4s-$ and Co $3d-$orbitals, leading to an inversion of the textbook orbital occupation of a square planar geometry. Further, our RIXS data reveal a strong low energy mode, with anomalous intensity modulations as a function of momentum transfer close to a quasi-static response suggestive of electronic and/or orbital ordering. These findings indicate that the newly discovered herringbone structure exhibited in CaCoO${}_2$ may serve as a promising laboratory for the design of materials having strong electronic, orbital and lattice correlations.

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• The influence of phonon symmetry and electronic structure on the electron-phonon coupling momentum dependence in cuprates