Journal Article

PreJuSER-59206

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Spectral broadening due to long-range Coulomb interactions in the molecular metal TTF-TCNQ

Cano-Cortéz, L. ; Dolfen, A.FZJ* ; Merino, J. ; Behler, J. ; Delley, B. ; Reuter, K. ; Koch, E.FZJ*

2007
Springer Berlin

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Please use a persistent id in citations: doi:10.1140/epjb/e2007-00110-y

Abstract: We employ density-functional theory to calculate realistic parameters for an extended Hubbard model of the molecular metal TTF-TCNQ. Considering both intra- and intermolecular screening in the crystal, we confirm the importance of the suspected longer-range Coulomb interactions along the molecular stacks, as well as inter-stack coupling. Contrary to past belief, these terms do not lead to the formation of a Wigner lattice, but simply broaden the spectral function.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

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Research Program(s):

1. Kondensierte Materie (P54)

Appears in the scientific report 2007

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