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By means of quasiparticle-energy calculations in the G0W0 approach, we show for the prototypical insulator/semiconductor system NaCl/Ge(001) that polarization effects at the interfaces noticeably affect the excitation spectrum of molecules adsorbed on the surface of the NaCl films. The magnitude of the effect can be controlled by varying the thickness of the film, offering new opportunities for tuning electronic excitations in e.g. molecular electronics or quantum transport. Polarization effects are visible even for the excitation spectrum of the NaCl films themselves, which has important implications for the interpretation of surface science experiments for the characterization of insulator surfaces.
We report the first observation of coherent surface states on cubic perovskite oxide SrVO3(001) thin films through spectroscopic imaging scanning tunneling microscopy. A direct link between the observed atomic-scale interference patterns and the form
Metal-insulator transition is observed in the La0.8Sr0.2MnO3 thin films with thickness larger than 5 unit cells. Insulating phase at lower temperature appeared in the ultrathin films with thickness ranging from 6 unit cells to 10 unit cells and it is
The structure and dynamics of atomic oxygen adsorbed on Ag(410) and Ag(210) surfaces have been investigated using density functional theory. Our results show that the adsorption configuration in which O adatoms decorate the upper side of the (110) st
A microscopic theory of the transport in a scanning tunnelling microscope (STM) set-up is introduced for pi-conjugated molecules on insulating films, based on the density matrix formalism. A key role is played in the theory by the energy dependent tu
In the context of photoelectron spectroscopy, the $GW$ approach has developed into the method of choice for computing excitation spectra of weakly correlated bulk systems and their surfaces. To employ the established computational schemes that have b