The Hubbard model description of the TCNQ related singular features in photoemission of TTF-TCNQ

In this paper we use the pseudofermion dynamical theory (PDT) to study the singular spectral features due to one-electron removal within the one-dimensional Hubbard model. The PDT reveals that in the whole ( k , ω)-plane such features are of the power-law type and correspond to well defined lines of three types: charge singular branch lines, spin singular branch lines and border lines. One of our goals is the study of the momentum and energy dependence of the distribution of the spectral weight in the vicinity of such lines. We find that the charge and spin branch lines correspond to the main tetracyanoquinodimethane (TCNQ) peak dispersions observed with angle-resolved photoelectron spectroscopy in the quasi-1D organic conductor tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ). Our expressions refer to all values of the electronic density and on-site repulsion U . The weight distribution in the vicinity of the singular spectral lines is fully controlled by the overall pseudofermion phase shifts. Moreover, the shape of these lines is determined by the bare-momentum dependence of the pseudofermion energy dispersions.