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Faculty of Physics and Center for Nanointegration Duisburg-Essen (CENIDE), University of 47048 Duisburg, Germany (Received 27 March 2013; accepted 29 May 2013; published online 7 June 2013) Individual molecules of octa-ethyl-porhphyrin-iron(III)-chloride adsorbed on a Cu(111) surface are studied by scanning tunneling microscopy. Upon moderate heating the molecules are found to transform into Fe-tetra-benzo-porphyrin at a surprisingly low temperature of 380 K. If the annealing is interrupted, the different steps of the transformation can be imaged. By evaluating the ratio of transformed molecules as function of annealing temperature, an approximate activation energy of 1.2 eV ± 0.1 eV could be determined. © 2013 AIP Publishing LLC.

Scanning tunneling microscopy was applied to study the lateral variation of the local density of electronic states on the Bi(111) surface in the vicinity of a point defect. At an energy close to the Fermi level a characteristic pattern with a threefold symmetry is found. The pattern can be attributed to the scattering between two electronic surface states which are split by spin orbit coupling. The observation is well described by the superposition of three monochromatic waves. The phase of the waves relative to the center of the defect leads to a reduction to a threefold symmetry.

The electronic structure at the surface of Bi(111) enables us to study the effect of defects scattering into multiple channels. By performing scanning tunneling spectroscopy near step edges, we analyze the resulting oscillations in the local density of electronic states (LDOS) as function of position. At a given energy, forward and backward scattering not only occur simultaneously but may contribute to the same scattering vector Δk. If the scattering phase of both processes differs by π and the amplitudes are almost equal, the oscillations cancel out. A sharp dip in the magnitude of the Fourier transform of the LDOS marks the crossover between forward and backward scattering channels.

To be or not to be chlorinated: When octaethylporphyrin iron(III) chloride (FeOEPCl) molecules are sublimated onto Cu(111) surfaces, two different molecular species are observed through scanning tunneling microscopy, showing either a protrusion or a depression at the center. In combination with van der Waals‐corrected density functional calculations, our experiments reveal that one species corresponds to FeOEPCl molecules with the chlorine atom pointing away from the surface, whereas the other species has been dechlorinated.

The fields of organic electronics and spintronics have the potential to revolutionize the electronics industry. Finding the right materials that can retain their electrical and spin properties when combined is a technological and fundamental challenge. We carry out the study of three archetypal organic molecules in intimate contact with the BiAg 2 surface alloy. We show that the BiAg 2 alloy is an especially suited substrate due to its inertness as support for molecular films, exhibiting an almost complete absence of substrate-molecular interactions. This is inferred from the persistence of a completely unaltered giant spin-orbit split surface state of the BiAg 2 substrate, and from the absence of significant metallic screening of charged molecular levels in the organic layer. Spin-orbit split states in BiAg 2 turn out to be far more robust to organic overlayers than previously thought.

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The rates of a hindered molecular rotation induced by tunneling electrons are evaluated using scattering theory within the sudden approximation. Our approach explains the excitation of copper phthalocyanine molecules (CuPc) on Cu(111) as revealed in a recent measurement of telegraph noise in a scanning tunneling microscopy experiment [Schaffert et al., Nat. Mater. 12, 223 (2013)]. A complete explanation of the experimental data is performed by computing the geometry of the adsorbed system, its electronic structure, and the energy transfer between tunneling electrons and the molecule's rotational degree of freedom. The results unambiguously show that tunneling electrons induce a frustrated rotation of the molecule. In addition, the theory determines the spatial distribution of the frustrated rotation excitation, confirming the striking dominance of two out of four molecular lobes in the observed excitation process. This lobe selectivity is attributed to the different hybridizations with the underlying substrate.