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

• Tipo: Artigo em Revista Científica Internacional
• Data: 2003

Autores

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

Revista

Título: Physical Review B

Vol. 68 Nº 12

Páginas: 1-18

ISSN: 2469-9950

Editora: American Physical Society

Classificação Científica

FOS: Ciências exactas e naturais > Física

CORDIS: Ciências Físicas > Física > Propriedades da matéria condensada

Outras Informações

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.

Idioma: Português

Tipo (Avaliação Docente): Científica

Nº de páginas: 10