Extended Data Fig. 7: Characterization of electronic states in 5a-EBPP on Ag(100).
From: Polaron superlattices in n-doped single conjugated polymers
a, dI/dV maps acquired with the indicated bias voltages and 30 pA, with 4 mV modulation for ±50 mV and 10 mV modulation for the other bias voltages. b, STM topographic image (−250 mV and 30 pA), within the same frame as in a. c, Normalized dI/dV spectra taken at the labelled sites in b, with the gray spectrum taken at the bare Ag(100) surface as a reference (1.0 V and 100 pA, and Vmod = 10 mV). The calculated DOS (black) calculated by GGA + U with a Gaussian broadening of 10 meV is plotted at the bottom. The vertical red line indicates the EF, while the dashed black ones indicate the alignment between experimental and calculated orbitals with empty or solid symbols with the same colour. d, Simulated LDOS maps labelled with the main contributions from the X point or Γ point of the Brillion zone, with a tip height of 2−4 Å for various biases. The simulated LDOS maps at negative biases are obtained with Gaussian smoothing function by considering the tip convolution effect, processed with the standard deviation of 1.0 Å. e, Calculated band structures of 5a-EBPP on Ag(100), with different symbols correspondingly marking the contributions to the simulated LDOS maps in d, with visible splitting due to the hybridization with Ag(100) surface. f, Sketch of the polaron band structure of 5a-EBPP, with the band width derived from the experimental dI/dV maps that show the similar patterns. The different symbols give the estimated energies by the characterized CDWs in the dI/dV maps in a. In e,f, the orange marks polaron bands, with other unoccupied bands in red, considering their highly splitting feature.
