Electronic Mapping of Molecular Orbitals at the Molecule-Metal Interface

Renormalization of molecular electronic levels at metal-molecule interfaces.

The electronic structure of benzene on graphite (0001) is computed using the GW approximation for the electron self-energy. The benzene quasiparticle energy gap is predicted to be 7.2 eV on graphite, substantially reduced from its calculated gas-phase value of 10.5 eV. This decrease is caused by a change in electronic correlation energy, an effect completely absent from the corresponding Kohn-S...

Image-charge-induced localization of molecular orbitals at metal-molecule interfaces Self-consistent GW calculations

Mapping Electronic Orbitals in Real Space

Electronic states are the key to most material properties including mechanical stability, chemical bonding, electrical conductivity, magnetism and optical properties. Because of their paramount importance across many fields, their direct mapping has attracted much attention in recent years. Using elastic electron scattering, total charge densities could be measured on the nanometer scale [1,2]....

Mapping electronic reconstruction at the metal-insulator interface in LaVO3/SrVO3 heterostructures

A (LaVO3)6/(SrVO3)3 superlattice is studied with a combination of sub-Å resolved scanning transmission electron microscopy and monochromated electron energy-loss spectroscopy. The V oxidation state is mapped with atomic spatial resolution enabling us to investigate electronic reconstruction at the LaVO3/SrVO3 interfaces. Surprisingly, asymmetric charge distribution is found at adjacent chemical...

Metal-molecule interface fluctuations.

We have created self-assembled circular chains of C60 laterally bound to a layer of Ag atoms as a model system for characterizing fluctuations at a metal-molecule interface. STM measurements show that the Ag and C60 sides of the interface fluctuate independently, with frequency-dependent amplitudes of magnitude 0.1 nm at approximately 1 Hz for the Ag edge and approximately 0.01 Hz for the C60 r...