Single-Atom And Single-Molecule Electronic Components (SASMEC)

Single-Atom And Single-Molecule Electronic Components (SASMEC)

Abstract

The aim of this project is to study atomic chains and molecular junctions both experimentally and theoretically. The experimental characterisation will be done at low temperatures using scanning tunneling microscopes (STM) and mechanically controllable break junctions (MCBJ). Firstly, we will study the single-atom chains which self-assemble during rupture of certain metals, paying attention to the formation mechanisms, structure, stability, dissipation and heat conduction, coupling of mechanical and electrical properties, influence of adsorbates on transport and hybrid chains. Secondly, we will study very simple individual molecules chemically bonded to the electrodes to form reliable, reproducible junctions. The molecule-electrode system will be characterised by vibrational spectroscopy, and attention will be given to the influence of the state of strain on transport properties. Theoretically, the structure and stability of atomic chains and molecular junctions will be investigated by density functional theory (DFT) techniques. The atomic structure of the electrodes will be taken into account explicitly, which will make possible to  predict bonding configurations, atomic structure and transport properties of the systems. The electric properties in the presence of a strong non-equilibrium bias voltage will be studied using a self-consistent DFT method, which will allow direct comparison with the experiments.

List of Partners

  • Professor Nicolás Agraït (Project Leader)
    Universidad Autonoma de Madrid, Spain

  • Professor Mads Brandbyge (Principal Investigator)
    Technical University of Denmark (DTU), Lyngby, Denmark

  • Professor Jan van Ruitenbeek (Principal Investigator)
    Leiden University, The Netherlands

  • Dr. Marisela Vélez (Principal Investigator)
    Facultad de Ciencias C-XVI, Universidad Autónoma de Madrid, Spain

  • Professor Karsten Wedel Jacobsen (Associated Group)
    Technical University of Denmark, Lyngby, Denmark