Charge Order at the Frontier between the Molecular and Solid States in Ba3NaRu2O9

Simon A. J. Kimber; Mark S. Senn; Simone Fratini; Hua Wu; Adrian H. Hill; Pascal Manuel; J. Paul Attfield; Dimitri N. Argyriou; Paul. F. Henry

doi:10.1103/PhysRevLett.108.217205

Charge Order at the Frontier between the Molecular and Solid States in Ba₃NaRu₂O₉

Simon A. J. Kimber, Mark S. Senn, Simone Fratini, Hua Wu, Adrian H. Hill, Pascal Manuel, J. Paul Attfield, Dimitri N. Argyriou, Paul. F. Henry

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Article number	217205
Journal	Physical Review Letters
Volume	108
Issue number	21
Early online date	24 May 2012
DOIs	https://doi.org/10.1103/PhysRevLett.108.217205
Publication status	Published - 2012

Access to Document

10.1103/PhysRevLett.108.217205

PDF available here
Copyright © 2012 by the American Physical Society. This article may be downloaded for personal use only. Any other use requires prior permission of the author(s) and the American Physical Society.
Final published version, 1.16 MB

http://prl.aps.org/abstract/PRL/v108/i21/e217205

Cite this

@article{9969d534aa4f45aabb6a8773704cee9e,

title = "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 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 = "Kimber, {Simon A. J.} and Senn, {Mark S.} and Simone Fratini and Hua Wu and Hill, {Adrian H.} and Pascal Manuel and Attfield, {J. Paul} and Argyriou, {Dimitri N.} and Henry, {Paul. F.}",

year = "2012",

doi = "10.1103/PhysRevLett.108.217205",

language = "English",

volume = "108",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "21",

}

TY - JOUR

T1 - Charge Order at the Frontier between the Molecular and Solid States in Ba3NaRu2O9

AU - Kimber, Simon A. J.

AU - Senn, Mark S.

AU - Fratini, Simone

AU - Wu, Hua

AU - Hill, Adrian H.

AU - Manuel, Pascal

AU - Attfield, J. Paul

AU - Argyriou, Dimitri N.

AU - Henry, Paul. F.

PY - 2012

Y1 - 2012

N2 - 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.

AB - 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.

U2 - 10.1103/PhysRevLett.108.217205

DO - 10.1103/PhysRevLett.108.217205

M3 - Article

VL - 108

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 21

M1 - 217205

ER -

Charge Order at the Frontier between the Molecular and Solid States in Ba3NaRu2O9

Abstract

Access to Document

Fingerprint

Cite this

Charge Order at the Frontier between the Molecular and Solid States in Ba₃NaRu₂O₉