Regensburg 2013 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 40: Spin Effects in Molecules at Surfaces (jointly with DS, MA)
O 40.5: Vortrag
Mittwoch, 13. März 2013, 10:30–10:45, H23
Magnetism and molecule-surface interaction in transition metal porphyrin molecules on Cu(001) — •H. C. Herper1,2, S. Bhandary2, M. Bernien3, C. F. Hermanns3, A. Krüger3, E. Weschke4, C. Czekelius5, C. Weis1, C. Antoniak1, B. Krumme1, J. Miguel3, D. Bovenschen1, B. Sanyal2, W. Kuch3, H. Wende1, and O. Eriksson2 — 1Fakultät für Physik und CeNIDE, Universität Duisburg-Essen, Germany — 2Department of Physics and Astronomy, Uppsala University, Sweden — 3Institut für Experimentalphysik, Freie Universität Berlin, Germany — 4Helmholtz-Zentrum Berlin, Germany — 5Institut für Chemie und Biochemie, Freie Universität Berlin, Germany
We present a combined theoretical and experimental study of Fe(Co) porphyrin molecules on (O)/Cu(001) surfaces. The interaction between nonmagnetic surfaces and molecules is weak, hence the anisotropy of the molecule can be studied together with the influence of ligands and hybridization effects with the surface. Magnetic and structural properties have been investigated within DFT and angle-dependent X-ray absorption spectroscopy at the Fe L2,3 edge. The magnetic dipole term is calculated to allow for comparison between spin moments from experiment and theory. The angle dependence of the calculated effective moments is in good agreement with the experimental findings. An intermediate spin state is obtained independent from the presence of an oxygen layer on the surface, which affects the hybridization between surface and molecule. A high-spin state can be realized by adding Cl or O ligands, which cause a stretching of the metal center-N bond.