相关论文: Metal Adatom Induced Corrugation of Cu(001)
In this paper we use density-functional theory calculations to analyze both the stability and diffusion of Cu adatoms near and on the H-passivated Si(001) surface. Two different Cu sources are considered: depositing Cu from vacuum, and…
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…
The Sudden Approximation is applied to invert structural data on randomly corrugated surfaces from inert atom scattering intensities. Several expressions relating experimental observables to surface statistical features are derived. The…
In this work, we have studied theoretically the effects of gold adsorption on the Al(001) surface, using {\it ab initio} pseudo-potential method in the framework of the density functional theory. Having found the hollow sites at the Al(001)…
We present first-principles studies of the adsorption of Sb and Ag on clean and Sb-covered Ag (111). For Sb, the {\it substitutional} adsorption site is found to be greatly favored with respect to on-surface fcc sites and to subsurface…
When surface state electrons scatter at perturbations, such as magnetic or nonmagnetic adatoms or clusters on surfaces, an electronic resonance, localized at the adatom site, can develop below the bottom of the surface state band for both…
While the phenomenon of metal substrate adatom incorporation into molecular overlayers is generally believed to occur in several systems, the experimental evidence for this relies on the interpretation of scanning tunnelling microscopy…
The Kondo zero bias anomaly of Co adatoms probed by scanning tunneling microscopy is known to depend on the height of the tip above the surface, and this dependence is different on different low index Cu surfaces. On the (100) surface, the…
The absorption of a metallic cathode in OLEDs is analyzed by using FDTD calculation. As the light propagates parallel to the layer, the intensity of Ez polarization decreases rapidly. The intensity at 2.0 um from the dipole is less than a…
We present a theoretical study of surface states close to 3d transition metal adatoms (Cr, Mn, Fe, Co, Ni and Cu) on a Cu(111) surface in terms of an embedding technique using the fully relativistic Korringa-Kohn-Rostoker method. For each…
Thin films of Co/Ru(0001) are known to exhibit an unusual spin reorientation transition (SRT) coupled to the completion of Co atomic layers for Co thicknesses under 4 layers. By means of spin-polarized low-energy electron microscopy, we…
We present a first-principles study of the surface magnetism induced by Cr, Mn, Fe and Co adatoms on the (111) surfaces of Rh, Pd, Ag, Ir, Pt and Au. We first describe how the different contributions to the surface magnetism enter the…
By combining first principles transition state location and molecular dynamics simulation, we unambiguously identify a carbon atom approaching induced bridging metal structure formation on Cu (111) surface, which strongly modify the carbon…
The coarsening of catalytically-active metal clusters is often accelerated by the presence of gases through the formation of mobile intermediates, though the exact mechanism through which this happens is often subject to debate. We use…
We use first-principles methods to investigate the adsorption of Cu, Pb, Ag, and Mg onto a H-terminated Si surface. We show that Cu and Pb can adsorb strongly while Ag and Mg are fairly inert. In addition, two types of adsorption states are…
We have measured the absolute doubly differential angular sputtering yield for 20 keV Kr+ impacting a polycrystalline Cu slab at an incidence angle of {\theta}i = 45{\deg} relative to the surface normal. Sputtered Cu atoms were captured…
We demonstrate rectification ratios ($RR$) of $\gtrsim$1000 at biases of 1.3~V in bilayers of \buck deposited on copper. Using scanning tunneling spectroscopy and first-principles calculations, we show that the strong coupling between \buck…
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…
Surface-state mediated interactions between adsorbates on surfaces can be exploited for the fabrication of self-organized nanostructures such as two-dimensional superlattices of adatoms. Using angle-resolved photoemission we provide…
The properties of MgO/Ag(001) ultrathin films with substitutional Mg atoms in the interface metal layer have been investigated by means of Auger electron diffraction experiments, ultraviolet photoemission spectroscopy, and density…