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• W2553286105 abstract "The quasi-one-dimensional molecular conductors ${(mathrm{TMTTF})}_{2}X$ commonly undergo a charge-order transition upon cooling. For tetrahedral anions ($X={mathrm{BF}}_{4}^{ensuremath{-}}, {mathrm{ClO}}_{4}^{ensuremath{-}}$, and ${mathrm{ReO}}_{4}^{ensuremath{-}}$), in addition, anion ordering is observed. In a comprehensive infrared study, we trace the resonance frequencies of the charge-sensitive vibrational modes to determine the charge disproportionation $2ensuremath{delta}={ensuremath{rho}}_{mathrm{rich}}ensuremath{-}{ensuremath{rho}}_{mathrm{poor}}$ as a function of temperature. In combination with analog investigations for the centrosymmetric anions, we conclude that charge order does not depend on the anion shape and symmetry, but is intrinsic to the TMTTF stack. Since correlation effects are of paramount importance, we find a universal relation between the charge imbalance $2ensuremath{delta}$ and ordering temperatures ${T}_{mathrm{CO}}$ and gaps ${mathrm{ensuremath{Delta}}}_{mathrm{CO}}$, respectively. Below ${T}_{mathrm{AO}}$ the charge disproportionation gradually changes. Ordering of the tetrahedral anions minimizes the electrostatic energy for the anions and organic molecules as a whole, resulting in a 0110 pattern. This way we can understand that deuteration of the methyl end groups enhances ${T}_{mathrm{CO}}$ but does not affect the anion ordering, which is linked to the anion-sulfur distance." @default.
• W2553286105 created "2016-11-30" @default.
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• W2553286105 date "2016-11-14" @default.
• W2553286105 modified "2023-09-30" @default.
• W2553286105 title "Electronic correlations versus lattice interactions: Interplay of charge and anion orders in <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>TMTTF</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:mi>X</mml:mi></mml:mrow></mml:math>" @default.
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• W2553286105 doi "https://doi.org/10.1103/physrevb.94.195125" @default.
• W2553286105 hasPublicationYear "2016" @default.
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