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O: Fachverband Oberflächenphysik
O 96: Plasmonics and nanooptics: Fabrication, characterization and applications
O 96.10: Vortrag
Freitag, 13. März 2026, 11:45–12:00, HSZ/0403
Ab Initio Theory of Chemical Interface Damping of Surface Plasmons — •Jordan Edwards1, Johannes Lischner1, Andrei Stefancu2, Wenxuan Tang3, Ming Fu3, Ross Schofield3, Toby Millard3, Rupert Oulton3, Pilar Carro4, Naomi Halas5, Peter Nordlander5, and Emiliano Cortes2 — 1Imperial College London, London, United Kingdom — 2Ludwig-Maximilians-Universität (LMU), Munich, Germany — 3Imperial College London, London, United Kingdom — 4University of Laguna, La Laguna, Spain — 5Rice University, Houston, United States
Metallic nanostructures support surface plasmons, collective electron oscillations that give rise to unique optical properties. Molecular adsorption can strongly modify plasmon behaviour; for example, experiments showing that functionalisation reduces their propagation length, a phenomenon is known as chemical interface damping (CID). However, the origin behind CID remains debated, with two proposed mechanisms being: (1) excitation of electron-hole pairs involving the adsorbate orbitals, and (2) electronic scattering by adsorbate-induced dipoles.
To investigate the physical origin of CID, we perform first-principles density-functional theory calculations for different molecules adsorbed on Au(111) surfaces. We calculate the density of states projected onto the adsorbate orbitals to analyse surface-plasmon decay channels associated with mechanism (1). We also use cluster models of the surface to investigate mechanism (2). These results are compared to experimental measurements, offering insights into the origin of CID.
Keywords: Surface Plasmons; Adsorbate–metal interactions; Chemical Interface Damping; Density Functional Theory; Plasmon Decay Mechanisms