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

I. V. Solovyev

doi:10.1088/1367-2630/10/1/013035

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

I. V. Solovyev

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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.

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I. V. Solovyev. 2006-12-19. Fingerprints of Spin-Orbital Physics in Crystalline O$_2$. https://doi.org/10.1088/1367-2630%2F10%2F1%2F013035

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