Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
DS: Fachverband Dünne Schichten
DS 45: Ion Interactions with Nano Scale Materials I (Focused Session -- Organisers: Diesing, Facsko)
DS 45.2: Topical Talk
Donnerstag, 17. März 2011, 11:15–11:45, GER 37
Energy dissipation in the scattering of N2 from W(110) — •J. Inaki Juaristi — Departamento de Física de Materiales, Facultad de Químicas, UPV/EHU, San Sebastián, Spain — Centro de Física de Materiales (CSIC-UPV/EHU), San Sebastián, Spain
Motivated by the measurements reported in [1], we study the scattering of N2 from W(110) with classical dynamics calculations on a multi-dimensional potential energy surface (PES). In this talk, I will show the results of our simulations for the rotational state distributions and discuss the possible mechanisms involved in the energy dissipation measured in the experiments. The potential energy surface is obtained by the interpolation of an extended ab-initio data set calculated within density functional theory over a broad six-dimensional configuration space. Regarding the energy dissipation mechanisms we analyze the relative importance of electron-hole and phonon excitations. The former are incorporated through a friction force with the aid of a model developed in our group. Briefly, the friction coefficient is calculated within a local density approach, for an ion embedded in an electron gas [6]. Phonon excitations are included via a Generalized Langevin Oscillator model [7].
[1] Hanisco T F, Kummel A C, J. Vac. Sci. Technol. A, 11, 1907 (1993)
[6] Juaristi J I, Alducin M, Díez Muiño R, Busnengo H F, and Salin A, Phys. Rev. Lett., 100, 116102 (2008)
[7] Busnengo H F, Dong W, and Salin A, Phys. Rev. Lett., 93, 236103 (2004)