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O: Fachverband Oberflächenphysik

O 67: Metal surfaces: Adsorption of H/O and inorganic molecules

O 67.2: Vortrag

Donnerstag, 29. März 2012, 10:45–11:00, MA 043

Tilting, bending and nonterminal sites in CO on Cu(001) — •Holger L. Meyerheim¹, Ramesh Thamankar¹, Arthur Ernst¹, Sergei Ostanin¹, Igor V. Maznichenko², Elena Soyka¹, Ingrid Mertig², and Jürgen Kirschner¹ — ¹Max-Planck-Institut f. Mikrostrukturphysik, D-06120 Halle — ²Institut f. Physik, Martin-Luther-Universität Halle-Wittenberg, D-06099 Halle

Carbon monoxide (CO) adsorbed on metals represents an archetype system in surface science. In the case of CO on Cu(001) it is undisputed that the (√2×√2) structure is characterized by θ=0.5 monolayers (MLs) of CO molecules located on top of every other Cu atom with carbon bonded to the metal.

We have studied the geometric structure of the compressed c(7√2×√2) anti-phase domain structure of CO on Cu(001) by using scanning tunnelling microscopy experiments in combination with first principles calculations. We find direct evidence for structural relaxations involving an inhomogeneous CO-environment characterized by molecular tilting, bending and non-terminal sites [1]. Our study resolves the so far unresolved problem to explain coverage dependent changes in RAIRS spectra reported previously [2,3].

[1] R. Thamankar, H. L. Meyerheim, A. Ernst, S. Ostanin, I.V. Maznichenko, E. Soyka, I. Mertig, and J. Kirschner, Phys. Rev. Lett. 106, 106101 (2011); [2] C.J. Hirschmugl et al., Phys. Rev. Lett. 65, 480 (1990); [3] J.C. Cook at al., J. Chem. Soc. Faraday Trans. 93, 2315 (1997)