Enhancement of the magnetic susceptibility of TTF-TCNQ (tetrathiafulvalene-tetracyanoquinodimethane) by Coulomb correlations

Torrance, J. B.; Tomkiewicz, Y.; Silverman, B. D.

doi:10.1103/physrevb.15.4738

Cited by 141 publications

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“…In fact, earlier studies of the electronic and magnetic low-energy properties of TTF-TCNQ 7,8,32,33 have already used this model successfully for the interpretation of their data. They estimated that the local interaction energy U and the bandwidth 4t are comparable and of the order of 1 eV.…”

Section: Discussionmentioning

confidence: 99%

“…There is substantial experimental evidence that Coulomb interaction plays an essential role in the electronic structure of TTF-TCNQ 7,8,32,33 and that a purely band theoretical description may be inadequate. On the theoretical side, the dramatic effects of electron-electron interaction on the low-energy properties of 1D metals have been studied in much detail using the TomonagaLuttinger (TL) model.…”

Section: Comparison To the 1d Hubbard Modelmentioning

confidence: 99%

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Electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ

Sing

Claessen

Finteis

et al. 2001

Journal of Electron Spectroscopy and Related Phenomena

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We study the electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ by means of density-functional band theory, Hubbard model calculations, and angle-resolved photoelectron spectroscopy (ARPES). The experimental spectra reveal significant quantitative and qualitative discrepancies to band theory. We demonstrate that the dispersive behavior as well as the temperature-dependence of the spectra can be consistently explained by the finite-energy physics of the one-dimensional Hubbard model at metallic doping. The model description can even be made quantitative, if one accounts for an enhanced hopping integral at the surface, most likely caused by a relaxation of the topmost molecular layer. Within this interpretation the ARPES data provide spectroscopic evidence for the existence of spin-charge separation on an energy scale of the conduction band width. The failure of the one-dimensional Hubbard model for the low-energy spectral behavior is attributed to interchain coupling and the additional effect of electron-phonon interaction.

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Section: Discussionmentioning

confidence: 99%

Section: Comparison To the 1d Hubbard Modelmentioning

confidence: 99%

Electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ

Sing

Claessen

Finteis

et al. 2001

Journal of Electron Spectroscopy and Related Phenomena

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“…The conductivity along b is up to 3 orders of magnitude larger than perpendicular to it, making TTF-TCNQ a truly quasi-1D metal. This is also reflected by a Peierls instability occurring at T P 54 K. There is substantial experimental evidence that Coulomb interaction plays an essential role in the electronic structure of TTF-TCNQ [11,12]. The effect of strong electronic correlations can approximately be described by the single-band 1D Hubbard model, with the on-site (i.e., intramolecular) Coulomb energy U and the hopping integral t as parameters.…”

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confidence: 99%

Spectroscopic Signatures of Spin-Charge Separation in the Quasi-One-Dimensional Organic Conductor TTF-TCNQ

et al. 2002

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Claessen, R.; Sing, M.; Schwingenschlogl, U.; Blaha, P.; Dressel, M.; Jacobsen, Claus Schelde Published in: Physical Review LettersLink to article, DOI: 10.1103/PhysRevLett.88.096402 Publication date: 2002 Document VersionPublisher's PDF, also known as Version of record Link back to DTU Orbit Citation (APA): Claessen, R., Sing, M., Schwingenschlogl, U., Blaha, P., Dressel, M., & Jacobsen, C. S. (2002). Spectroscopic signatures of spin-charge separation in the quasi-one-dimensional organic conductor TTF-TCNQ. Physical Review Letters, 88(9), 096402. DOI: 10.1103/PhysRevLett.88.096402 VOLUME 88, NUMBER 9 The electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ is studied by angle-resolved photoelectron spectroscopy (ARPES). The experimental spectra reveal significant discrepancies to band theory. We demonstrate that the measured dispersions can be consistently mapped onto the one-dimensional Hubbard model at finite doping. This interpretation is further supported by a remarkable transfer of spectral weight as a function of temperature. The ARPES data thus show spectroscopic signatures of spin-charge separation on an energy scale of the conduction bandwidth.

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“…These results suggest that the electron-phonon coupling is not particularly important for investigating the spectral weight located at −1.3eV < ∼ ω < ∼ −0.4eV . However, it is still necessary to study A(k, ω) of the 1D Hubbard-Holstein model at finite T , since the electron-phonon interaction can influence the T dependence of the magnetic correlations [16,17] and, hence, the T dependence of A(k, ω).…”

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confidence: 99%

Anomalous temperature dependence of the single-particle spectrum in the organic conductor TTF-TCNQ

et al. 2006

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The angle-resolved photoemission spectrum of the organic conductor TTF-TCNQ exhibits an unusual transfer of spectral weight over a wide energy range for temperatures 60K < T < 260K. In order to investigate the origin of this finding, here we report numerical results on the single-particle spectral weight A(k, ω) for the one-dimensional (1D) Hubbard model and, in addition, for the 1D extended Hubbard and the 1D Hubbard-Holstein models. Comparisons with the photoemission data suggest that the 1D Hubbard model is not sufficient for explaining the unusual T dependence, and the long-range part of the Coulomb repulsion also needs to be included.PACS numbers: 71.10. Fd, 79.60.Fr, 71.20.Rv, 72.15.Nj The low-dimensional interacting systems receive attention because of their unusual electronic properties [1]. In this respect, the high-resolution AngleResolved Photoemission Spectroscopy (ARPES) measurements on the quasi-one-dimensional organic conductor tetrathiofulvalene-tetracyanoquinodimethan (TTF-TCNQ) have provided evidence for non-Fermi liquid behavior in this compound [2,3,4,5]. In particular, the ARPES experiments have found that the single-particle spectral weight at the Fermi wavevector k F is transferred over an energy range of ≈ 1.3eV of the Fermi level in the TCNQ-derived band, as the temperature T decreases from 260K to 60K [3,4]. In a Fermi liquid the spectralweight transfer would have occurred within ∼ k B T of the Fermi level. Here, we investigate the origin of this unusual ARPES data and its meaning for the electronic structure of TTF-TCNQ by using the Dynamical Density Matrix Renormalization Group (DDMRG), Quantum Monte Carlo (QMC) and the exact diagonalization methods.There are various possibilities as to what might be the origin of the anomalous T dependence of the singleparticle spectral weight at the Fermi level, A(k F , ω), in TTF-TCNQ: (i) It has been suggested that the Tdependence of the ARPES data can be explained within the one-dimensional (1D) Hubbard model [3,4]. In this case, the anomalous T -dependence of A(k F , ω) over the conduction bandwidth has been attributed to the strongcorrelation effects. Indeed, by using the Bethe-Ansatz solution, the photoemission spectrum has been fitted excellently to the dispersion of the spinon and holon bands of the 1D Hubbard model with the parameters t = 0.4eV for the hopping matrix element and U = 2eV for the Coulomb repulsion. The recent observation of the 3k F structures in A(k, ω) by the ARPES [5] also supports this picture. (ii) An alternative point of view is that an extended Hubbard model with long-range Coulomb repulsion is necessary, particularly because the screening of the long-range Coulomb repulsion is expected to be weaker for the surface layer of TTF-TCNQ. (iii) Another possibility is that the electron-phonon interaction, in addition to the strong Coulomb repulsion, plays a role in producing the unusual T dependence. In this paper, our goal is to differentiate among these possibilities. For this purpose, we present DDMRG and finite-temper...

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Enhancement of the magnetic susceptibility of TTF-TCNQ (tetrathiafulvalene-tetracyanoquinodimethane) by Coulomb correlations

Cited by 141 publications

References 50 publications

Electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ

Electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ

Spectroscopic Signatures of Spin-Charge Separation in the Quasi-One-Dimensional Organic Conductor TTF-TCNQ

Anomalous temperature dependence of the single-particle spectrum in the organic conductor TTF-TCNQ

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