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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 2: Modeling and Simulation of Soft Matter I
CPP 2.7: Talk
Monday, March 18, 2024, 11:30–11:45, H 0107
Topological phonon boundary modes in polymer chains and supramolecular lattices — •Jose D. Cojal Gonzalez2,4, Jakub Rondomaski3,4, Konrad Polthier3,4, Jürgen P. Rabe2,4, and Carlos-Andres Palma1,2,4 — 1Institute of Physics, Chinese Academy of Sciences, 100190 Beijing, P. R. China — 2Department of Physics & IRIS Adlershof, Humboldt-Universität zu Berlin, 12489 Berlin, Germany — 3Department of Mathematics and Computer Science, Freie Universität Berlin, 14195 Berlin, Germany — 4Matters of Activity - Image Space Material, Humboldt-Universität zu Berlin, 10178 Berlin, Germany
In the domain of topological band theory, phonon boundary modes with non-trivial topology present desirable properties for atomically-precise technologies, including robustness against defects, waveguiding, and one-way transport. Topological phonon properties remain to be studied both theoretically and experimentally in low-dimensional materials at the atomistic level, such as polymer chains and self-assembled supramolecular lattices, especially under thermal fluctuations. Here we show by means of molecular simulations that these materials, following modified Su-Schrieffer-Heeger (SSH) phonon models with heavy boundaries, exhibit robust topological phonon boundary modes under thermal fluctuations. These modes propagate upon the excitation of a single molecule, in contrast to free boundary modes. Our work introduces the study of topological vibrations in supramolecular systems and suggests potential applications in realizing Hall effect phonon analogues at the molecular scale.
Keywords: Topological phonons; Boundary modes; Polymer chains; Supramolecular lattices; Molecular simulations