Charge order at the frontier between the molecular and solid states in Ba3NaRu2O9

Abstract

We show that the valence electrons of Ba3NaRu2O9, which has a quasi-molecular 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 quasi-degenerate charge-melted phase under photo-excitation 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.

Minor changes, with supporting information. To appear in Phys. Rev. Lett

References in corpus (6)

• Revision of model parameters for kappa-type charge transfer salts: an ab initio study
• Strong electronic correlations in superconducting organic charge transfer salts
• Quantum Melting of Charge Order due to Frustration in Two-Dimensional Quarter-Filled Systems
• Effective Coulomb interactions within BEDT-TTF dimers
• Quantum melting of charge ice and non-Fermi-liquid behavior: An exact solution for the extended Falicov-Kimball model in the ice-rule limit
• Dimensional tuning of electronic states under strong and frustrated interactions

Cited by in corpus (21)

• Models and Materials for Generalized Kitaev Magnetism
• Orbital effects in solids: basics, recent progress and opportunities
• Hexagonal Perovskites as Quantum Materials
• A valence bond liquid on the honeycomb lattice
• Spin--orbital interaction for face-sharing octahedra: Realization of a highly symmetric SU(4) model
• Frustrated spin-1/2 molecular magnetism in the mixed-valence antiferromagnets Ba3MRu2O9 (M = In, Y, Lu)
• EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering
• Magnetic moment suppression in Ba3CoRu2O9: hybridization effect
• Direct detection of dimer orbitals in Ba${}_5$AlIr${}_2$O${}_{11}$
• Realization of the orbital-selective Mott state at the molecular level in Ba${}_3$LaRu${}_2$O${}_9$
• Slow dynamics of disordered zigzag chain molecules in layered LiVS2 under electron irradiation
• Cooperative Ru(4d)-Ho(4f) magnetic orderings and phase coexistence in the 6H-perovskite multiferroic Ba3HoRu2O9
• Electronic correlations and competing orders in multiorbital dimers: a cluster DMFT study
• Soft and anisotropic local moments in 4$d$ and 5$d$ mixed-valence M${}_2$O${}_9$ dimers
• Checkerboard to Stripe Charge Ordering Transition in TbBaFe2O5
• Pinball liquid phase from Hund's coupling in frustrated transition metal oxides
• Disorder driven cluster glass state in a geometrically frustrated hexagonal perovskite
• Spectroscopic signature of trimer Mott insulator and charge disproportionation in BaIrO${}_3$
• Frustration, strain and phase co-existence in the mixed valent hexagonal iridate Ba${}_3$NaIr${}_2$O${}_9$
• Symmetry breaking and unconventional charge ordering in single crystal Na${}_{2.7}$Ru${}_4$O${}_9$
• Phase coexistence and negative thermal expansion in the triple perovskite iridate Ba${}_3$CoIr${}_2$O${}_9$