We have performed angle-dependent near-edge x-ray absorption fine structure measurements in the Auger electron yield mode on the correlated quasi-one-dimensional organic conductor tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) in order to determine the orientation of the molecules in the topmost surface layer. We find that the tilt angles of the molecules with respect to the one-dimensional axis are essentially the same as in the bulk. Thus, we can rule out surface relaxation as the origin of the renormalized band widths which were inferred from the analysis of photoemission data within the one-dimensional Hubbard model. Thereby, recent theoretical results are corroborated which invoke long-range Coulomb repulsion as alternative explanation to understand the spectral dispersions of TTF-TCNQ quantitatively within an extended Hubbard model.
Bibliographical noteCopyright 2007 American Physical Society
Sing, M., Meyer, J., Hoinkis, M., Glawion, S., Blaha, P., Gavrila, G., Jacobsen, C. S., & Claessen, R. (2007). Structural vs electronic origin of renormalized band widths in TTF-TCNQ: An angular dependent NEXAFS study. Physical Review B Condensed Matter, 76(24), 245119. https://doi.org/10.1103/PhysRevB.76.245119