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 language | English (US) |
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Pages (from-to) | 44-48 |
Number of pages | 5 |
Journal | Chemical Physics Letters |
Volume | 475 |
Issue number | 1-3 |
DOIs | |
State | Published - Jun 16 2009 |
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry