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The spectroscopic characteristics of systems with adsorbed d impurities on noble metal surfaces should depend on the number and geometric arrangement of the adsorbed atoms and also on their d band filling. Recent experiments using scanning tunneling microscopy have probed the electronic structure of all 3d transition metal impurities and also of Co dimers adsorbed on Au(111), providing a rich variety of results. In this contribution we correlate those experimental results with ab-initio calculations and try to establish necessary conditions for observing a Kondo resonance when using the single impurity Anderson model. We find that the relevant orbitals at the STM tip position, when it is on top of an impurity, are the dThe spectroscopic characteristics of systems with adsorbed d impurities on noble metal surfaces should depend on the number and geometric arrangement of the adsorbed atoms and also on their d band filling. Recent experiments using scanning tunneling microscopy have probed the electronic structure of all 3d transition metal impurities and also of Co dimers adsorbed on Au(111), providing a rich variety of results. In this contribution we correlate those experimental results with ab-initio calculations and try to establish necessary conditions for observing a Kondo resonance when using the single impurity Anderson model. We find that the relevant orbitals at the STM tip position, when it is on top of an impurity, are the d orbitals with m=0 and that the energy of these levels with respect to the Fermi energy determines the possibility of observing a spectroscopic feature due to the impurity. orbitals with m=0 and that the energy of these levels with respect to the Fermi energy determines the possibility of observing a spectroscopic feature due to the impurity.
We report scanning tunneling microscopy observations of Ge deposited on the Si(111)-7x7 surface for a sequence of sub-monolayer coverages. We demonstrate that Ge atoms replace so-called Si adatoms. Initially, the replacements are random, but distinct
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 report on a theoretical study of adsorption of 4-Acetylbiphenyl molecule and its diffusion properties in the main directions of the Au(111) surface. Structural changes of the molecule, which are induced by adsorption lead to stronger conjugation o
Correlated electron systems on a honeycomb lattice have emerged as a fertile playground to explore exotic electronic phenomena. Theoretical and experimental work has appeared to realize novel behavior, including quantum Hall effects and valleytronics
Core-level X-ray Photoelectron Spectroscopy (XPS) is often used to study the surfaces of heterogeneous copper-based catalysts, but the interpretation of measured spectra, in particular the assignment of peaks to adsorbed species, can be extremely cha