Lifetimes of Stark-shifted image states

The inelastic lifetimes of electrons in image-potential states at Cu(100) that are Stark-shifted by the electrostatic tip-sample interaction in the scanning tunneling microscope are calculated using the many-body GW approximation. The results demonstrate that in typical tunneling conditions the image state lifetimes are significantly reduced from their field-free values. The Stark-shift to higher energies increases the number of inelastic scattering channels that are available for decay, with field-induced changes in the image state wave function increasing the efficiency of the inelastic scattering through greater overlap with final state wave functions.Comment: 10 pages, 4 figure

Simulating the nanomechanical response of cyclooctatetraene molecules on a graphene device

We investigate the atomic and electronic structures of cyclooctatetraene (COT) molecules on graphene and analyze their dependence on external gate voltage using first-principles calculations. The external gate voltage is simulated by adding or removing electrons using density functional theory (DFT) calculations. This allows us to investigate how changes in carrier density modify the molecular shape, orientation, adsorption site, diffusion barrier, and diffusion path. For increased hole doping COT molecules gradually change their shape to a more flattened conformation and the distance between the molecules and graphene increases while the diffusion barrier drastically decreases. For increased electron doping an abrupt transition to a planar conformation at a carrier density of -8$\times$10$^{13}$ e/cm$^2$ is observed. These calculations imply that the shape and mobility of adsorbed COT molecules can be controlled by externally gating graphene devices

Mirage phenomena in superconducting quantum corrals

We investigate the local density of states and the order parameter structure inside an elliptic quantum corral on surfaces of isotropic and anisotropic superconductors. The Bogoliubov-de Gennes equations are solved in the presence of non-magnetic and magnetic impurities. We observe and discuss a variety of mirage and anti-mirage phenomena, which specifically reflect the nature of the superconducting pairing state.Comment: 8 pages, 8 figure

Ab initio study of mirages and magnetic interactions in quantum corrals

The state of the art ab initio calculations of quantum mirages,the spin-polarization of surface-state electrons and the exchange interaction between magnetic adatoms in Cu and Co corrals on Cu(111) are presented. We find that the spin-polarization of the surface-state electrons caused by magnetic adatoms can be projected to a remote location and can be strongly enhanced in corrals compared to an open surface.Our studies give a clear evidence that quantum corrals could permit to tailor the exchange interaction between magnetic adatoms at large separations. The spin-polarization of surface-state electrons at the empty focus in the Co corral used in the experimental setup of Manoharan et al., (Nature 403, 512 (2000)) is revealed.Comment: Submitted to Physical Review Letter

A simple interpretation of quantum mirages

In an interesting new experiment the electronic structure of a magnetic atom adsorbed on the surface of Cu(111), observed by STM, was projected into a remote location on the same surface. The purpose of the present paper is to interpret this experiment with a model Hamiltonian, using ellipses of the size of the experimental ones, containing about 2300 atoms. The charge distribution for the different wavefunctions is analyzed, in particular, for those with energy close to the Fermi energy of copper Ef. Some of them show two symmetric maxima located on the principal axis of the ellipse but not necessarily at the foci. If a Co atom is adsorbed at the site where the wavefunction with energy $E_F$ has a maximum and the interaction is small, the main effect of the adsorbed atom will be to split this particular wavefunction in two. The total charge density will remain the same but the local density of states will present a dip at Ef at any site where the charge density is large enough. We relate the presence of this dip to the observation of quantum mirages. Our interpretation suggests that other sites, apart from the foci of the ellipses, can be used for projecting atomic images and also indicates the conditions for other non magnetic adsorbates to produce mirages.Comment: 3 pages, 3 Fig

Disorder induced local density of states oscillations on narrow Ag(111) terraces

The local density of states of Ag(111) has been probed in detail on disordered terraces of varying width by dI/dV-mapping with a scanning tunneling microscope at low temperatures. Apparent shifts of the bottom of the surface-state band edge from terrace induced confinement are observed. Disordered terraces show interesting contrast reversals in the dI/dV maps as a function of tip-sample voltage polarity with details that depend on the average width of the terrace and the particular edge profile. In contrast to perfect terraces with straight edges, standing wave patterns are observed parallel to the step edges, i.e. in the non-confined direction. Scattering calculations based on the Ag(111) surface states reproduce these spatial oscillations and all the qualitative features of the standing wave patterns, including the polarity-dependent contrast reversals.Comment: 19 pages, 12 figure

Geometry and electronic structure of iridium adsorbed on graphene

We report investigation of the geometry and electronic structure of iridium atoms adsorbed onto graphene through a combined experimental and theoretical study. Ir atoms were deposited onto a flake of graphene on a Pt(111) surface and found to form clusters even at low temperatures. The areal density of the observed clusters on the graphene flake suggests the clusters are most likely pairs of Ir atoms. Theoretical ab initio density functional (DFT) calculations indicate that these Ir dimers are oriented horizontally, near neighboring "bridge" sites of the graphene lattice, as this configuration has the strongest adsorption energy of all high-symmetry configurations for the Ir dimer. A large peak in the local density of states (LDOS) at the Dirac point energy was measured via scanning tunneling spectroscopy, and this result is reproduced by a DFT calculation of the LDOS. The peak at the Dirac point energy is found to be from the Ir s and p states. The LDOS in the monomer case was also calculated, and is found to significantly differ from the experimentally determined data, further supporting the hypothesis of low-temperature clustering

Spin-polarized surface states close to adatoms on Cu(111)

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 of the adatoms we found resonances in the s-like states to be attributed to a localization of the surface states in the presence of an impurity. We studied the change of the s-like densities of states in the vicinity of the surface state band-edge due to scattering effects mediated via the adatom's d-orbitals. The obtained results show that a magnetic impurity causes spin-polarization of the surface states. In particular, the long-range oscillations of the spin-polarized s-like density of states around an Fe adatom are demonstrated.Comment: 5 pages, 5 figures, submitted to PR