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

Physics – Condensed Matter – Strongly Correlated Electrons

Scientific paper

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4 pages, 2 figures, 1 table

Scientific paper

10.1088/1367-2630/10/1/013035

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.

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