Charge Order at the Frontier between the Molecular and Solid States in Ba3NaRu2O9Report as inadecuate

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1 ESRF - European Synchrotron Radiation Facility 2 School of Chemistry, Edinburgh 3 TMC - Théorie de la Matière Condensée NEEL - Institut Néel 4 Laboratory for Computational Physical Sciences, Surface Physics Laboratory and Department of Physics, Fudan University 5 RAL - STFC Rutherford Appleton Laboratory 6 HZB 7 HZB

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.

Author: S. A. J. Kimber - M. S. Senn - Simone Fratini - H. Wu - A. H. Hill - P. Manuel - J. Paul Attfield - D.N. Argyriou - P. F. Henry -



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