13 research outputs found
Stable and Metastable Structures of Cobalt on Cu(001): An ab initio Study
We report results of density-functional theory calculations on the
structural, magnetic, and electronic properties of (1x1)-structures of Co on
Cu(001) for coverages up to two monolayers. In particular we discuss the
tendency towards phase separation in Co islands and the possibility of
segregation of Cu on top of the Co-film. A sandwich structure consisting of a
bilayer Co-film covered by 1ML of Cu is found to be the lowest-energy
configuration. We also discuss a bilayer c(2x2)-alloy which may form due to
kinetic reasons, or be stabilized at strained surface regions. Furthermore, we
study the influence of magnetism on the various structures and, e.g., find that
Co adlayers induce a weak spin-density wave in the copper substrate.Comment: 11 pages including 4 figures. Related publications can be found at
http://www.fhi-berlin.mpg.de/th/paper.htm
Model study of adsorbed metallic quantum dots: Na on Cu(111)
We model electronic properties of the second monolayer Na adatom islands
(quantum dots) on the Cu(111) surface covered homogeneously by the first Na
monolayer. An axially-symmetric three-dimensional jellium model, taking into
account the effects due to the first Na monolayer and the Cu substrate, has
been developed. The electronic structure is solved within the local-density
approximation of the density-functional theory using a real-space multigrid
method. The model enables the study of systems consisting of thousands of
Na-atoms. The results for the local density of states are compared with
differential conductance () spectra and constant current topographs from
Scanning Tunneling Microscopy.Comment: 10 pages, 8 figures. For better quality figures, download
http://www.fyslab.hut.fi/~tto/cylart1.pd
Scanning tunneling microscopy of adsorbates on insulating films. From the imaging of individual molecular orbitals to the manipulation of the charge state
Ultrathin insulating films on metal substrates are unique systems for using a scanning tunneling microscope to study the electronic properties of single atoms and molecules that are electronically decoupled from the metallic substrate. Individual gold atoms on an ultrathin insulating sodium chloride film supported by a copper surface exhibit two different charge states, which are stabilized by the large ionic polarizability of the film. The charge state and associated physical and chemical properties such as diffusion can be controlled by adding or removing a single electron to or from the adatom with a scanning tunneling microscope tip. The simple physical mechanism behind the charge bistability in this case suggests that this is a common phenomenon for adsorbates on polar insulating films. In the case of molecules on ultrathin NaCl films, the electronic decoupling allows the direct imaging of the unperturbed molecular orbitals, as will be shown in the case of individual pentacene molecules