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- Kimber, Simon A. J., et al.
(author)
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Charge Order at the Frontier between the Molecular and Solid States in Ba3NaRu2O9
- 2012
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In: Physical Review Letters. - 1079-7114. ; 108:21
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Journal article (peer-reviewed)abstract
- We show that the valence electrons of Ba3NaRu2O9, which has a quasimolecular structure, completely crystallize below 210 K. Using an extended Hubbard model, we show that the charge ordering instability results from long-range Coulomb interactions. However, orbital ordering, metal-metal bonding, and formation of a partial spin gap enforce the magnitude of the charge separation. The striped charge order and frustrated hcp lattice of Ru2O9 dimers lead to competition with a quasidegenerate charge-melted phase under photoexcitation at low temperature. Our results establish a broad class of simple metal oxides as models for emergent phenomena at the border between the molecular and solid states.
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