arXiv subjects

J. M. Pitarke

Publications and source records attributed to J. M. Pitarke.

86 records · Page 5Linked to original sources

arXiv1999

Inelastic lifetimes of hot electrons in real metals

We report a first-principles description of inelastic lifetimes of excited electrons in real Cu and Al, which we compute, within the GW approximation of many-body theory, from the knowledge of the self-energy of the excited quasiparticle. Our full band-structure calculations indicate that actual lifetimes are the result of a delicate balance between localization, density of states, screening, and Fermi-surface topology. A major contribution from $d$-electrons participating in the screening of electron-electron interactions yields lifetimes of excited electrons in copper that are larger than those of electrons in a free-electron gas with the electron density equal to that of valence ($4s^1$) electrons. In aluminum, a simple metal with no $d$-bands, splitting of the band structure over the Fermi level results in electron lifetimes that are smaller than those of electrons in a free-electron gas.

cond-mat.mtrl-sci↗

arXiv1999

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.

cond-mat.mtrl-sci↗

arXiv1999

Ab initio calculations of the dynamical response of copper

The role of localized $d$-bands in the dynamical response of Cu is investigated, on the basis of {\em ab initio} pseudopotential calculations. The density-response function is evaluated in both the random-phase approximation (RPA) and a time-dependent local-density functional approximation (TDLDA). Our results indicate that in addition to providing a polarizable background which lowers the free-electron plasma frequency, d-electrons are responsible, at higher energies and small momenta, for a double-peak structure in the dynamical structure factor. These results are in agreement with the experimentally determined optical response of copper. We also analyze the dependence of dynamical scattering cross sections on the momentum transfer.

cond-mat.mtrl-sci↗

arXiv1999

Role of the intrinsic surface state in the decay of image states at a metal surface

The role of the intrinsic surface state ($n=0$) in the decay of the first image state ($n=1$) at the (111) surface of copper is investigated. Inelastic linewidths are evaluated from the knowledge of the imaginary part of the electron self-energy, which we compute, within the GW approximation of many-body theory, by going beyond a free-electron description of the metal surface. Single-particle wave functions are obtained by solving the Schrödinger equation with a realistic one-dimensional model potential, and departure of the motion along the surface from free-electron behaviour is considered through the introduction of the effective mass. The decay of the first image state of Cu(111) into the intrinsic surface state is found to result in a linewidth that represents a 40% of the total linewidth. The dependence of linewidths on the momentum of the image state parallel to the surface is also investigated.

cond-mat.mtrl-sci↗

arXiv1998

Quadratic electronic response of a two-dimensional electron gas

The electronic response of a two-dimensional (2D) electron system represents a key quantity in discussing one-electron properties of electrons in semiconductor heterojunctions, on the surface of liquid helium and in copper-oxide planes of high-temperature superconductors. We here report an evaluation of the wave-vector and frequency dependent dynamical quadratic density-response function of a 2D electron gas (2DEG), within a self-consistent field approximation. We use this result to find the $Z_1^3$ correction to the stopping power of a 2DEG for charged particles moving at a fixed distance from the plane of the 2D sheet, $Z_1$ being the projectile charge. We reproduce, in the high-density limit, previous full nonlinear calculations of the stopping power of a 2DEG for slow antiprotons, and we go further to calculate the $Z_1^3$ correction to the stopping power of a 2DEG for a wide range of projectile velocities. Our results indicate that linear response calculations are, for all projectile velocities, less reliable in two dimensions than in three dimensions.

cond-mat.mtrl-sci↗

arXiv1998

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.

cond-mat.mtrl-sci↗

arXiv1998

Quadratic response theory for the interaction of charged particles with an electron gas

A survey is presented of the theoretical status of quadratic response theories for the understanding of nonlinear aspects in the interaction of charged particles with matter. In the frame of the many-body perturbation theory we study the interaction of charged particles with the electron gas, within the random-phase approximation (RPA). In particular, nonlinear corrections to the stopping power of an electron gas for ions are analyzed, and special emphasis is made on the contribution to the stopping power coming from the excitation of single and double plasmons. Double plasmon mean free paths of swift electrons passing through an electron gas are also discussed.

cond-mat.mtrl-sci↗

arXiv1998

Electronic stopping power of aluminum crystal

Ab initio calculations of the electronic energy loss of ions moving in aluminum crystal are presented, within linear-response theory, from a realistic description of the one-electron band-structure and a full treatment of the dynamical electronic response of valence electrons. For the evaluation of the density-response function we use the random-phase approximation and, also, a time-dependent extension of local-density functional theory. We evaluate both position-dependent and random stopping powers, for a wide range of projectile velocities. Our results indicate that at low velocities band structure effects slightly enhance the stopping power. At velocities just above the threshold velocity for plasmon excitation, the stopping power of the real solid is found to be smaller than that of jellium electrons, corrections being of about 10%. This reduction can be understood from sum rule arguments.

cond-mat.mtrl-sci↗

arXiv1998

Silver Filled Carbon Nanotubes used as Spectroscopic Enhancers

We analyse from a theoretical point of view the optical properties of arrays of carbon nanotubes filled with silver. Dependence of these properties on the different parameters involved is studied using a Transfer Matrix formalism able to work with tensor-like dielectric functions and including the full electromagnetic coupling between the nanotubes. We find these structures exhibit very strong linear optical response and hence could be used as spectroscopic enhancers or chemical sensors in the visible range. Very localised surface plasmons, created by the electromagnetic interaction between the capped silver cylinders, are responsible of this enhancing ability. Enhancements of up to $10^6$ in the Raman signal of molecules absorbed on these arrays could be obtained.

cond-mat.mtrl-sci↗

arXiv1998

Nonlinear energy-loss straggling of protons and antiprotons in an electron gas

The electronic energy-loss straggling of protons and antiprotons moving at arbitrary nonrelativistic velocities in a homogeneous electron gas are evaluated within a quadratic response theory and the random-phase approximation (RPA). These results show that at low and intermediate velocities quadratic corrections reduce significantly the energy-loss straggling of antiprotons, these corrections being, at low-velocities, more important than in the evaluation of the stopping power.

cond-mat.mtrl-sci↗

arXiv1998

Effective electronic response of a system of metallic cylinders

The electronic response of a composite consisting of aligned metallic cylinders in vacuum is 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. A spectral representation of the effective response is considered, and the surface mode strengths and positions are analyzed. The range of validity of a Maxwell-Garnett-like approach is discussed, and the impact of our results on absorption spectra and electron energy-loss phenomena is addressed.

cond-mat.mtrl-sci↗

arXiv1998

Lifetimes of image-potential states on copper surfaces

The lifetime of image states, which represent a key quantity to probe the coupling of surface electronic states with the solid substrate, have been recently determined for quantum numbers $n\le 6$ on Cu(100) by using time-resolved two-photon photoemission in combination with the coherent excitation of several states (U. Höfer et al, Science 277, 1480 (1997)). We here report theoretical investigations of the lifetime of image states on copper surfaces. We evaluate the lifetimes from the knowledge of the self-energy of the excited quasiparticle, which we compute within the GW approximation of many-body theory. Single-particle wave functions are obtained by solving the Schrödinger equation with a realistic one-dimensional model potential, and the screened interaction is evaluated in the random-phase approximation (RPA). Our results are in good agreement with the experimentally determined decay times.

cond-mat.mtrl-sci↗

arXiv1997

Surface energy of a bounded electron gas: Analysis of the accuracy of the local-density approximation via ab initio self-consistent-field calculations

We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is treated exactly. Long-range correlations are treated self-consistently in the random-phase approximation; short range correlations are included in time-dependent local density-functional theory. Our results provide a numerical measure of the error introduced by the usual local-density approximation; this error is found to be small.

cond-mat.mtrl-sci↗

arXiv1997

Effective medium theory of the optical properties of aligned carbon nanotubes

We present an effective medium theory in order to analyze the reported optical properties of aligned carbon nanotube films (W.A. de Heer et al., Science 268, 845 (1995)). This methodology is based on photonic band structure calculations and allows treatment of complex media consisting of particles that interact strongly. We also develop a simple Maxwell-Garnett type approach for studying this system. In comparing the results of both mean field theories, we demonstrate that the inclusion of the full electromagnetic coupling between the nanotubes, as our numerical scheme does, is necessary for a complete explanation of the experimental data.

cond-mat.mtrl-sci↗