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Spin-orbital physics for p orbitals in alkali RO2 hyperoxides—Generalization of the Goodenough-Kanamori rules

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Published 28 September 2011 Europhysics Letters Association
, , Citation K. Wohlfeld et al 2011 EPL 96 27001 DOI 10.1209/0295-5075/96/27001

0295-5075/96/2/27001

Abstract

We derive a realistic spin-orbital model at finite Hund's exchange for alkali hyperoxides. We find that, due to the geometric frustration of the oxygen lattice, spin and orbital waves destabilize both spin and p-orbital order in almost all potential ground states. We show that the orbital order induced by the lattice overrules the one favoured by superexchange and that this, together with the large interorbital hopping, leads to generalized Goodenough-Kanamori rules. They i) lift the geometric frustration of the lattice, and ii) explain the observed layered C-type antiferromagnetic order in alkali hyperoxides. This is confirmed by a spin-wave dispersion with no soft-mode behavior presented here as a prediction for future experiments.

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10.1209/0295-5075/96/27001