Fig. 6: A finite-ribbon double-chain adsorbed Su-Schrieffer-Heeger (daSSH)-array equivalent model with patterned heavy-boundaries under thermal fluctuations and guided excitation of the topological boundary mode. | Nature Communications

Fig. 6: A finite-ribbon double-chain adsorbed Su-Schrieffer-Heeger (daSSH)-array equivalent model with patterned heavy-boundaries under thermal fluctuations and guided excitation of the topological boundary mode.

From: Heavy-boundary mode patterning and dynamics of topological phonons in polymer chains and supramolecular lattices on surfaces

Fig. 6

ac Supramolecular array used to compare and pattern boundaries. Periodic boundary conditions (PBC) in x and y constitute a Crystal (a), PBC in y form a Ribbon (b, c). Increasing the mass by three-fold in boundary molecules of the ribbon (in red) forms the heavy-boundary ribbon (c). d Normal mode Analysis (NMA) of Ribbon and Crystal shows a new eigenmode at 45.5 cm−1 between bulk modes (magenta arrow), when the boundary of the crystal is opened. e Eigenmode mapping at 45.5 cm−1 exhibits exponential localisation at the second-to-last molecules of the Ribbon. The colormap represents the angle of the eigenvector’s components with respect to the xy-plane. fh Band dispersions from molecular dynamics simulations at 10 K of the crystal (f), Ribbon (g) and Ribbon with heavy boundaries (h) helps to identify the sharp resonance of a potential topological boundary mode marked with magenta arrows. i Supramolecular Ribbon with heavier inner molecules, marked in red, whose mass has been increased three-fold. The shaded molecules depict the repetition of the main cell, represented by highlighted molecules. j NMA of the system showing an inner boundary eigenmode at 20 cm−1 and whose mapping is shown in k. k Eigenmode mapping at 20 cm−1, mostly localised at the molecules with a stronger interaction to the heavy ones as depicted in i. Source data are provided as a Source Data file.

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