Fig. 5: Experimental and simulated dI/dV maps of Tt.

a Constant-current dI/dV maps (top) and theoretical simulated maps (bottom) at energies of −2.3 V (H2), −1.8 V (H1), −0.5 V (SOMOs), 1.35 V (SUMOs) and 2 V (L1). (V_rms = 25 mV, I = 200 pA). b Low-energy dI/dV spectra on Tt. c, d Constant-height dI/dV map (c) and theoretical simulated map (d). e DFT-calculated spin density distribution of Tt in spin state of S = 3 and S = 1. The colors green and yellow represent the spin density distributions. Set point: (b) V = 30 mV, I = 200 pA; (c) V_rms = 2 mV.