Related papers: Surface-State Localization at Adatoms
We have carried out a density functional study of the localized constraint on the delocalized, unoccupied resonance states in a mono atomic Au chain on a NiAl(110) surface by adsorption of a CO molecule on one of the adatoms in the chain.…
Results of recent density functional theory calculations for alkali metal adsorbates on close-packed metal surfaces are discussed. Single adatoms on the (111) surface of Al and Cu are studied with the self-consistent surface Green-function…
Surface resonance states are electronic states localized near the surface while remaining hybridized with bulk bands. These states can strongly modify the electric-field response of semiconductors. Here, we demonstrate using scanning…
We present density-functional results on the lifetime of the (111) surface state of the noble metals. We consider scattering on the Fermi surface caused by impurity atoms belonging to the 3d and 4sp series. The results are analyzed with…
Quantum dot arrays in the form of molecular nanoporous networks are renown for modifying the electronic surface properties through quantum confinement. Here we show that, compared to the pristine surface state, the fundamental energy of the…
First-principles calculations of the conventional and acoustic surface plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are presented. The effect of $s-d$ interband transitions on both types of plasmons is investigated by…
The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface…
Dispersion relations for the spectra of surface electron states on a dynamically deformed adsorbed surface of a monocrystal with the Zinc blende structure are received. It is established that the dependences of the band gap width and of the…
We calculate the conductance spectra of a Co atom adsorbed on Cu(111), considering the Co $3d$ orbitals within a correlated multiple configurations model interacting through the substrate band with the Co $4s$ orbital, which is treated in a…
The adatom arrays on surfaces offer an ideal playground to explore the mechanisms of chemical bonding via changes in the local electronic tunneling spectra. While this information is readily available in hyperspectral scanning tunneling…
Based on the experimental observation, that only the close vicinity of a magnetic impurity at metal surfaces determines its Kondo behaviour, we introduce a simple model which explains the Kondo temperatures observed for cobalt adatoms at…
Organic adlayers on inorganic substrates often contain adatoms, which can be incorporated within the adsorbed molecular species, forming two-dimensional metal-organic frameworks at the substrate surface. The interplay between native adatoms…
A scattering method is used to calculate the surface band structure of Al(111) from 8.6 eV below the Fermi level to 9 eV above it. This method has rarely been implemented previously. The complete complex bulk and surface band structure is…
A comprehensive theory is presented for the voltage, temperature, and spatial dependence of the tunneling current between a scanning tunneling microscope (STM) tip and a metallic surface with an individual magnetic adatom. Modeling the…
The scattering of 1D matter wave bright solitons on attractive potentials enables one to populate bound states, a feature impossible with noninteracting wave packets. Compared to noninteracting states, the populated states are renormalized…
The decay of hexagonal Ag adatom islands on top of larger Ag adatom islands on a Ag(111) surface is followed by a fast scanning tunneling microscope. Islands do not always show the expected increase in decay rate with decreasing island…
The effects of isolated residual-gas adsorbates on the local electronic structure of the Dy(0001) surface were spatially mapped by scanning tunneling microscopy and spectroscopy at 12 K. Less than 15 A away from an adsorbate, a strong…
The interactions between carbon nanotubes (CNTs) and metal adatoms as well as metal contacts are studied by means of ab initio electronic structure calculations. We show that the electronic properties of a semiconducting (8,4) CNT can be…
Electronic correlations together with dimensional constraints lead to some of the most fascinating properties known in condensed matter physics. As possible candidates where these conditions are realized, semiconductor (111) surfaces and…
We investigated the electronic structure of the Si(111)--7$\times$7 surface below 20 K by scanning tunneling and photoemission spectroscopies and by density functional theory calculations. Previous experimental studies have questioned the…