Fingerprints of Spin-Orbital Physics in Crystalline O${}_2$

Abstract

The alkali hyperoxide KO${}_2$ is a molecular analog of strongly-correlated systems, comprising of orbitally degenerate magnetic O${}_2^{-}$ ions. Using first-principles electronic structure calculations, we set up an effective spin-orbital model for the low-energy \textit{molecular} orbitals and argue that many anomalous properties of KO${}_2$ replicate the status of its orbital system in various temperature regimes.

arXiv comment4 pages, 2 figures, 1 table

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