Materia zeharkatzean ioi azkarrek jasaten duten balaztatze indarraren Z3/1-arekiko menpekotasuna

Análisis teórico de la interacción entre un ión rápido y un electrón gas mediante la teoría de la perturbación de muchos cuerpos. El término proporcional a Z31 en la expresión que define la fuerza de parada del medio se deriva en la aproximación de la fase aleatoria, aplicando los diagramas FeynmanIoi azkarren eta elektroi-gasaren arteko elkarrekintzen azterketa teorika egiten da, anitz gorputzen perturbazioen teoriaz baliaturik. Ingurunearen balaztatze-indarren Z31-arekiko proportzionala den ekarpena lortzen da, zorizko faseen hurbilketan, Feynman-en diagramak erabiliz.A theoretical analysis of the interaction between a swift ion and an electron gas is made, in a manybody perturbation theory approach. The term propotional to Z31 in the expression for the stopping power of the medium is derived in the Random Phase Approximation, applying Feynman diagrams

Interface modes of two-dimensional composite structures

The surface modes of a composite consisting of aligned metallic wires with square cross sections are investigated, on the basis of photonic band structure calculations. The effective long-wavelength dielectric response function is computed, as a function of the filling fraction. The dependence of the optical absorption on the shape of the wires and the polarization of light is discussed, and the effect of sharp corners analyzed. The effect of the interaction between the wires on the localization of surface plasmons is also addressed.Comment: 12 pages, 4 figures, to appear in Surf. Sc

Plasmon excitation by charged particles interacting with metal surfaces

Recent experiments (R. A. Baragiola and C. A. Dukes, Phys. Rev. Lett. {\bf 76}, 2547 (1996)) with slow ions incident at grazing angle on metal surfaces have shown that bulk plasmons are excited under conditions where the ions do not penetrate the surface, contrary to the usual statement that probes exterior to an electron gas do not couple to the bulk plasmon. We here use the quantized hydrodynamic model of the bounded electron gas to derive an explicit expression for the probability of bulk plasmon excitation by external charged particles moving parallel to the surface. Our results indicate that for each ${\bf q}$ (the surface plasmon wave vector) there exists a continuum of bulk plasmon excitations, which we also observe within the semi-classical infinite-barrier (SCIB) model of the surface.Comment: 4 pages, 3 figures, o appear in Phys. Lett.

Metal Surface Energy: Persistent Cancellation of Short-Range Correlation Effects beyond the Random-Phase Approximation

The role that non-local short-range correlation plays at metal surfaces is investigated by analyzing the correlation surface energy into contributions from dynamical density fluctuations of various two-dimensional wave vectors. Although short-range correlation is known to yield considerable correction to the ground-state energy of both uniform and non-uniform systems, short-range correlation effects on intermediate and short-wavelength contributions to the surface formation energy are found to compensate one another. As a result, our calculated surface energies, which are based on a non-local exchange-correlation kernel that provides accurate total energies of a uniform electron gas, are found to be very close to those obtained in the random-phase approximation and support the conclusion that the error introduced by the local-density approximation is small.Comment: 5 pages, 1 figure, to appear in Phys. Rev.

Recent Progress in the Computational Many-Body Theory of Metal Surfaces

In this article we describe recent progress in the computational many-body theory of metal surfaces, and focus on current techniques beyond the local-density approximation of density-functional theory. We overview various applications to ground and excited states. We discuss the exchange-correlation hole, the surface energy, and the work function of jellium surfaces, as obtained within the random-phase approximation, a time-dependent density-functional approach, and quantum Monte Carlo methods. We also present a survey of recent quasiparticle calculations of unoccupied states at both jellium and real surfaces.Comment: 17 pages, 1 figure, to appear in Comput. Phys. Commu

Transition from tunneling to direct contact in tungsten nanojunctions

We apply the mechanically controllable break junctions technique to investigate the transition from tunneling to direct contact in tungsten. This transition is quite different from that of other metals and is determined by the local electronic properties of the tungsten surface and the relief of the electrodes at the point of their closest proximity. The conductance traces show a rich variety of patterns from the avalanche-like jump to a mesoscopic contact to the completely smooth transition between direct contact and tunneling. Due to the occasional absence of an adhesive jump the conductance of the contact can be continuously monitored at ultra-small electrode separations. The conductance histograms of tungsten are either featureless or show two distinct peaks related to the sequential opening of spatially separated groups of conductance channels. The role of surface states of tungsten and their contribution to the junction conductance at sub-Angstrom electrode separations are discussed.Comment: 6 pages, 6 figure

Diagrammatic self-energy approximations and the total particle number

There is increasing interest in many-body perturbation theory as a practical tool for the calculation of ground-state properties. As a consequence, unambiguous sum rules such as the conservation of particle number under the influence of the Coulomb interaction have acquired an importance that did not exist for calculations of excited-state properties. In this paper we obtain a rigorous, simple relation whose fulfilment guarantees particle-number conservation in a given diagrammatic self-energy approximation. Hedin's G(0)W(0) approximation does not satisfy this relation and hence violates the particle-number sum rule. Very precise calculations for the homogeneous electron gas and a model inhomogeneous electron system allow the extent of the nonconservation to be estimated

Tunable variation of optical properties of polymer capped gold nanoparticles

Optical properties of polymer capped gold nanoparticles of various sizes (diameter 3-6 nm) have been studied. We present a new scheme to extract size dependent variation of total dielectric function of gold nanoparticles from measured UV-Vis absorption data. The new scheme can also be used, in principle, for other related systems as well. We show how quantum effect, surface atomic co - ordination and polymer - nanoparticle interface morphology leads to a systematic variation in inter band part of the dielectric function of gold nanoparticles, obtained from the analysis using our new scheme. Careful analysis enables identification of the possible changes to the electronic band structure in such nanoparticles.Comment: 13 pages,7 figures, 1 tabl

Theory of inelastic lifetimes of low-energy electrons in metals

Electron dynamics in the bulk and at the surface of solid materials are well known to play a key role in a variety of physical and chemical phenomena. In this article we describe the main aspects of the interaction of low-energy electrons with solids, and report extensive calculations of inelastic lifetimes of both low-energy electrons in bulk materials and image-potential states at metal surfaces. New calculations of inelastic lifetimes in a homogeneous electron gas are presented, by using various well-known representations of the electronic response of the medium. Band-structure calculations, which have been recently carried out by the authors and collaborators, are reviewed, and future work is addressed.Comment: 28 pages, 18 figures, to appear in Chem. Phy

Tractable non-local correlation density functionals for flat surfaces and slabs

A systematic approach for the construction of a density functional for van der Waals interactions that also accounts for saturation effects is described, i.e. one that is applicable at short distances. A very efficient method to calculate the resulting expressions in the case of flat surfaces, a method leading to an order reduction in computational complexity, is presented. Results for the interaction of two parallel jellium slabs are shown to agree with those of a recent RPA calculation (J.F. Dobson and J. Wang, Phys. Rev. Lett. 82, 2123 1999). The method is easy to use; its input consists of the electron density of the system, and we show that it can be successfully approximated by the electron densities of the interacting fragments. Results for the surface correlation energy of jellium compare very well with those of other studies. The correlation-interaction energy between two parallel jellia is calculated for all separations d, and substantial saturation effects are predicted.Comment: 10 pages, 6 figure