Realization of the bond order wave (BOW) phase of extended Hubbard models in Rb-TCNQ(II)

T. M. McQueen, D. M. Ho, C. Jiménez Cahua, R. J. Cava, R. A. Pascal, Z. G. Soos

Research output: Contribution to journalArticle

9 Scopus citations

Abstract

Rb-TCNQ(II) is shown to be a realization of the BOW phase of half-filled extended Hubbard models. The BOW phase has a regular array of sites with inversion (Ci) symmetry, a finite magnetic gap Em and broken electronic Ci symmetry. The phase is conditionally stable against dimerization for linear electron-phonon (e-ph) coupling. At 100 K, Rb-TCNQ(II) crystals have regular TCNQ- stacks at Ci centers, negligible spin susceptibility that indicates finite Em, and infrared (ir) spectra that indicate broken Ci symmetry. The 100 and 295 K crystal structures rule out a dimerization transition around 220 K that had previously been inferred from magnetic and ir data.

Original languageEnglish (US)
Pages (from-to)44-48
Number of pages5
JournalChemical Physics Letters
Volume475
Issue number1-3
DOIs
StatePublished - Jun 16 2009

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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