Nonlinear screening in two-dimensional electron gases

We have performed self-consistent calculations of the nonlinear screening of a point charge Z in a two-dimensional electron gas using a density functional theory method. We find that the screened potential for a Z=1 charge supports a bound state even in the high density limit where one might expect perturbation theory to apply. To explain this behaviour, we prove a theorem to show that the results of linear response theory are in fact correct even though bound states exist.Comment: 4 pages, 4 figure

The role of surface plasmons in the decay of image-potential states on silver surfaces

The combined effect of single-particle and collective surface excitations in the decay of image-potential states on Ag surfaces is investigated, and the origin of the long-standing discrepancy between experimental measurements and previous theoretical predictions for the lifetime of these states is elucidated. Although surface-plasmon excitation had been expected to reduce the image-state lifetime, we demonstrate that the subtle combination of the spatial variation of s-d polarization in Ag and the characteristic non-locality of many-electron interactions near the surface yields surprisingly long image-state lifetimes, in agreement with experiment.Comment: 4 pages, 2 figures, to appear in Phys. Rev. Let

Exchange and correlation effects in the relaxation of hot electrons in noble metals

We report extensive first-principles calculations of the inelastic lifetime of low-energy electrons in the noble metals Cu, Ag, and Au. The quasiparticle self-energy is computed with full inclusion of exchange and correlation (xc) effects, in the framework of the GW\Gamma approximation of many-body theory. Although exchange and correlation may considerably reduce both the screening and the bare interaction of hot electrons with the Fermi gas, these corrections have opposite signs. Our results indicate that the overall effect of short-range xc is small and GW\Gamma linewidths are close to their xc-free G^0W^0 counterparts, as occurs in the case of a free-electron gas.Comment: 9 pages, 8 figures. To appear in Phys. Rev.

Self-energy and lifetime of Shockley and image states on Cu(100) and Cu(111): Beyond the GW approximation of many-body theory

We report many-body calculations of the self-energy and lifetime of Shockley and image states on the (100) and (111) surfaces of Cu that go beyond the $GW$ approximation of many-body theory. The self-energy is computed in the framework of the GW\Gamma approximation by including short-range exchange-correlation (XC) effects both in the screened interaction W (beyond the random-phase approximation) and in the expansion of the self-energy in terms of W (beyond the GW approximation). Exchange-correlation effects are described within time-dependent density-functional theory from the knowledge of an adiabatic nonlocal XC kernel that goes beyond the local-density approximation.Comment: 8 pages, 5 figures, to appear in Phys. Rev.

Theoretical study of ionization of an alkali atom adsorbed on a metal surface by laser assisted subfemtosecond pulse

The first numerical simulation of the process of ionization of an atom adsorbed on a metal surface by the subfemtosecond pulse is presented. The streaking scheme is considered, when a weak sub-femtosecond pulse comes together with a strong IR pulse with a variable delay between them. The problem is analyzed with numerical solving the non-stationary Schroedinger equation in the cylindrical coordinate. The results obtained are compared with ones in the gas phase. We show that the surface influences the DDCS, but the observation of this influence, beside the trivial polarization shift of the energy of the initial state, requires a quite high experimental resolution

Nonlinear screening and stopping power in two-dimensional electron gases

We have used density functional theory to study the nonlinear screening properties of a two-dimensional (2D) electron gas. In particular, we consider the screening of an external static point charge of magnitude Z as a function of the distance of the charge from the plane of the gas. The self-consistent screening potentials are then used to determine the 2D stopping power in the low velocity limit based on the momentum transfer cross-section. Calculations as a function of Z establish the limits of validity of linear and quadratic response theory calculations, and show that nonlinear screening theory already provides significant corrections in the case of protons. In contrast to the 3D situation, we find that the nonlinearly screened potential supports a bound state even in the high density limit. This behaviour is elucidated with the derivation of a high density screening theorem which proves that the screening charge can be calculated perturbatively in the high density limit for arbitrary dimensions. However, the theorem has particularly interesting implications in 2D where, contrary to expectations, we find that perturbation theory remains valid even when the perturbing potential supports bound states.Comment: 23 pages, 15 figures in RevTeX

Ultrafast electron dynamics in metals

During the last decade, significant progress has been achieved in the rapidly growing field of the dynamics of {\it hot} carriers in metals. Here we present an overview of the recent achievements in the theoretical understanding of electron dynamics in metals, and focus on the theoretical description of the inelastic lifetime of excited hot electrons. We outline theoretical formulations of the hot-electron lifetime that is originated in the inelastic scattering of the excited {\it quasiparticle} with occupied states below the Fermi level of the solid. {\it First-principles} many-body calculations are reviewed. Related work and future directions are also addressed.Comment: 17 pages, two columns, 13 figures, to appear in ChemPhysChe

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.Comment: 4 papes, 2 figures, to appear in Phys. Rev. Let