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

• Type: Article in International Scientific Journal
• Date: 2003

Authors

M. Sling (Author) Other; U. Schwingenschlögl (Author) Other; R. Claessen (Author) Other; P. Blaha (Author) Other; J. M. P. Carmelo (Author) Other; Luís Miguel Fortuna Rodrigues Martelo (Author) FEUP; P. D. Sacramento (Author) Other; M. Dressel (Author) Other; C. S. Jacobsen (Author) Other

Journal

Title: Physical Review B

Vol. 68 No. 12

Pages: 1-18

ISSN: 2469-9950

Publisher: American Physical Society

Scientific classification

FOS: Natural sciences > Physical sciences

CORDIS: Physical sciences > Physics > Condensed matter properties

Other information

Abstract (EN): 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.

Language: Portuguese

Type (Professor's evaluation): Scientific

No. of pages: 10