Fig. 3: Intrachain effect of TTF-CA.
From: Releasing the hidden shift current in the TTF-CA organic molecular solid via symmetry lowering
a The electronic band structure of the isolated single chains of TTF-CA whose unit-cell geometry is specified by the scaling parameter that was defined as in Fig. 1. b The partial charge densities of the conduction and valence bands in the ionic phase. c The maximum shift current of the isolated single chain of TTF-CA with respect to the phase parameter. The inset presents the shift current spectrum for each geometry defined by λ with respect to the frequency of the applied light. d Schematic illustrations of the charge shift mechanisms in the neutral and the ionic phase. The black solid arrow indicates a large charge shift that is bigger than black dotted arrows indicating a small charge shift relatively. The cases for λ=0.0, 0.3, 0.5, 0.7, and 1.0 are selected to be presented in a and the inset of c.
