Regensburg 2010 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 59: Poster Session II (Nanostructures at surfaces: Dots, particles, clusters; Nanostructures at surfaces: arrays; Nanostructures at surfaces: Wires, tubes; Nanostructures at surfaces: Other; Plasmonics and nanooptics; Metal substrates: Epitaxy and growth; Metal substrates: Solid-liquid interfaces; Metal substrates: Adsoprtion of organic / bio molecules; Metal substrates: Adsoprtion of inorganic molecules; Metal substrates: Adsoprtion of O and/or H; Metal substrates: Clean surfaces; Density functional theory and beyond for real materials)

O 59.47: Poster

Mittwoch, 24. März 2010, 17:45–20:30, Poster B1

Ultrafast optical response of metal surfaces — •Mathias Wand, Arno Schindlmayr, Yevgen Grynko, Torsten Meier, and Jens Förstner — Department Physik and CeOPP, Universität Paderborn, 33098 Paderborn, Germany

We present a numerical method for calculating the dynamics of surface electrons in metals. This will enable us to simulate the linear or nonlinear response of complex plasmonic nanostructures, e.g., metamaterials built from split-ring resonators. As shown by Rudnick and Stern [Phys. Rev. B 4, 12 (1971)], the motion of electrons perpendicular to the surface requires a quantum-mechanical treatment due to nonlocal effects. As we aim to incorporate the ultrafast material response into a Maxwell solver, it is highly desireable to have a time-domain description of the surface electron dynamics. This can be achieved by using the time-dependent density-functional theory (TDDFT), which is able to describe the time evolution of the charge density of a quantum-mechanical many-body system. The charge density along the normal direction of the metal surface is resolved on an Ångström scale and propagated in time on a secondary grid. The current density can be extracted from the TDDFT simulation and incorporated into Maxwell's equations as a nonlinear source current. To illustrate the capabilities of TDDFT we further present optical conductivities of selected simple and noble metals extracted from ab initio calculations of the linear response function.