STM Simulation of Molecules on Ultrathin Insulating Overlayers Using Tight-Binding: Au-Pentacene on NaCl bilayer on Cu

Details STM Simulation of Molecules on Ultrathin Insulating Overlayers Using Tight-Binding: Au-Pentacene on NaCl bilayer on Cu STM Simulation of Molecules on Ultrathin Insulating Overlayers Using Tight-Binding: Au-Pentacene on NaCl bilayer on Cu

2008-05-20

arxiv.org/abs/0805.3035v1

Physics

Condensed Matter

Materials Science

19 pages, 5 figures

Scientific paper

We present a fast and efficient tight-binding (TB) method for simulating scanning tunneling microscopy (STM) imaging of adsorbate molecules on ultrathin insulating films. Due to the electronic decoupling of the molecule from the metal surface caused by the presence of the insulating overlayer, the STM images of the frontier molecular orbitals can be simulated using a very efficient scheme, which also enables the analysis of phase shifts in the STM current. Au-pentacene complex adsorbed on a NaCl bilayer on Cu substrate provides an intricate model system, which has been previously studied both experimentally and theoretically. Our calculations indicate that the complicated shape of the molecular orbitals may cause multivalued constant current surfaces -- leading to ambiguity of the STM image. The results obtained using the TB method are found to be consistent with both DFT calculations and experimental data.

Affiliated with

Also associated with

No associations

Rating

STM Simulation of Molecules on Ultrathin Insulating Overlayers Using Tight-Binding: Au-Pentacene on NaCl bilayer on Cu does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with STM Simulation of Molecules on Ultrathin Insulating Overlayers Using Tight-Binding: Au-Pentacene on NaCl bilayer on Cu, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and STM Simulation of Molecules on Ultrathin Insulating Overlayers Using Tight-Binding: Au-Pentacene on NaCl bilayer on Cu will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-300184