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arxiv: cond-mat/0612475 · v1 · submitted 2006-12-19 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci

Fingerprints of Spin-Orbital Physics in Crystalline O₂

classification ❄️ cond-mat.str-el cond-mat.mtrl-sci
keywords molecularspin-orbitalalkalianaloganomalousarguecalculationscomprising
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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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