Lateral manipulation of single adsorbates and substrate atoms with the scanning tunneling microscope

The stability and precision of modern scanning-tunneling-microscope (STM) systems allow positioning of the tip on a subnanometer scale. This advancement has stimulated diverse efforts on surface modifications in the nanometer and even atomic range, as recently reviewed by Avouris. The lateral movement of individual adatoms and molecules in a controlled manner on solid surfaces and the construction of structures on a nanoscale were first demonstrated by Eigler and collaborators at 4 K. The reason for operating the STM at low temperatures (apart from increased stability and sensitivity of the STM setup itself) is the necessity to freeze the motion of single adsorbates, which are very often mobile at ambient temperatures. By selecting strongly bonded adsorbate/substrate combinations and large molecules, it was possible to extend the lateral manipulation technique even to room temperature. In the case of large molecules, not only their translational motion but also internal flexure of the molecule during the positioning process must be considered. In general, different physical and chemical interaction mechanisms between tip and sample can be exploited for atomic-scale manipulation. We will concentrate in the following on lateral manipulation where solely the forces that act on the adsorbate because of the proximity of the tip are used. This means that long-range van der Waals and short-range chemical forces can be used to move atoms or molecules along the surface. No bias voltage or tunneling current is necessary. Apart from this technique, additional advances using the effects caused by the electric field generated by the bias voltage between tip and sample and by the current flowing through the gap region can be used for atomic or molecular modification

Electron induced ortho-meta isomerization of single molecules

FWN – Publicaties zonder aanstelling Universiteit Leide

Structure and dynamics of Rh surfaces

Lattice relaxations, surface phonon spectra, surface energies, and work functions are calculated for Rh(100) and Rh(110) surfaces using density-functional theory and the full-potential linearized augmented plane wave method. Both, the local-density approximation and the generalized gradient approximation to the exchange-correlation functional are considered. The force constants are obtained from the directly calculated atomic forces, and the temperature dependence of the surface relaxation is evaluated by minimizing the free energy of the system. The anharmonicity of the atomic vibrations is taken into account within the quasiharmonic approximation. The importance of contributions from different phonons to the surface relaxation is analyzed.Comment: 9 pages, 7 figures, scheduled to appear in Phys. Rev. B, Feb. 15 (1998). Other related publications can be found at http://www.rz-berlin.mpg.de/th/paper.htm