Berlin 2015 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 41: Inorganic/Organic Interfaces
O 41.38: Poster
Dienstag, 17. März 2015, 18:15–21:00, Poster B
Ab-initio Calculation of Scanning Tunnelling Spectra of Tin-Phthalocyanine Multilayer Structures — •Felix Schwarz1, Yongfeng Wang2, Richard Berndt3, Erich Runge1, and Jörg Kröger1 — 1Technische Universität Ilmenau, D-98693 Ilmenau — 2Department of Electronics, Peking University, Beijing 100871, China — 3Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel
Tin-Phthalocyanine molecules on Ag(111) represent archetypical molecular switches [1]. Two conformations, which are characterized by the central Sn ion pointing towards vacuum and towards the surface have reversibly been interchanged by electron injection from a scanning tunnelling microscope (STM) tip. Using density functional theory the electronic structure of the different conformations has been determined. STM images and spectra of the differential conductance have been simulated and compared to experimental data. Contributions of inelastic electron tunnelling to the spectra due to excitation of molecular vibrations are discussed.
[1] Y. F. Wang, J. Kröger, R. Berndt, W. A. Hofer, J. Am. Chem. Soc. 131, 3639 (2009)