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The surface phonon dispersion curves of commensurate Xe monolayers on Cu(111) and incommensurate Xe monolayers on Cu(001) surfaces have been measured using He atom scattering (HAS) time of flight (TOF) spectroscopy. The TOF spectra are interpreted by combining quantum scattering calculations with the dynamical matrix description of the surface vibrations. Both a vertically polarized Einstein-like mode and another, acoustic-like mode of dominantly longitudinal character, are identified. The latter mode is characterized by the presence and absence of the zone center frequency gap in the commensurate and incommensurate adlayers, respectively. The microscopic description of the TOF spectral intensities is based on the extensive theoretical studies of the interplay of the phonon dynamics, projectile-surface potentials, multi-quantum interference and projectile recoil, and their effect on the HAS spectra. Both single and multi-quantum spectral features observed over a wide range of He atom incident energies and substrate temperatures are successfully explained by the theory.
We present results of density-functional calculations on the magnetic properties of Cr, Mn, Fe and Co nano-clusters (1 to 9 atoms large) supported on Cu(001) and Cu(111). The inter-atomic exchange coupling is found to depend on competing mechanisms,
We present calculations on energy- and time-resolved two-photon photoemission spectra of images states in Cu(100) and Cu(111) surfaces. The surface is modeled by a 1D effective potential and the states are propagated within a real-space, real-time me
We report many-body calculations of the self-energy and lifetime of Shockley and image states on the (100) and (111) surfaces of Cu that go beyond the $GW$ approximation of many-body theory. The self-energy is computed in the framework of the GWGamma
Boron forms compounds with nearly all metals, with notable exception of copper and other group IB and IIB elements. Here, we report an unexpected discovery of ordered copper boride grown epitaxially on Cu(111) under ultrahigh vacuum. Scanning tunneli
Glycine on Cu(001) is used as an example to illustrate the critical role of molecular polarity and finite temperature effect in self-assembly of biomolecules at a metal surface. A unified picture for glycine self-assembly on Cu(001) is derived based