Extended Data Fig. 2: Transmission data for Si222, Si222-short (a compressed junction of Si222) and Si2-Si222-Si2 anti-conformations.
From: Comprehensive suppression of single-molecule conductance using destructive σ-interference
a, Transmission plot; b–d, transmission pathways of (b) Si222-short, (c) Si2-Si222-Si2 and (d) Si222 calculated at 0 eV (the Fermi energy); e, Si2-Si222-Si2 calculated at –0.6 eV; f, Si222 calculated at –1.6 eV. Through-space injection dominates on one side of the molecule in Si222-short at 0 eV and a flattened transmission function around the Fermi energy is observed. This coexistence implies that through-space injection can change the slope of the transmission (and thus the thermopower), without a substantial change in the magnitude of the conductance. Si2-Si222-Si2 at −0.6 eV and Si222 at −1.6 eV both show reversed ring current direction in comparison with that calculated at 0 eV, a clear signature of destructive quantum interference.
