Spin-dependent on-site electron correlations and localization in itinerant ferromagnets.

Spin selectivity in angle-resolved Auger photoelectron coincidence spectroscopy (AR-APECS) is used to probe electron correlation in ferromagnetic thin films. In particular, exploiting the AR-APECS capability to discriminate Auger electron emission events characterized by valence hole pairs created either in the high or in the low total spin state, a strong correlation effect in the Fe M(2,3)VV Auger line shape (measured in coincidence with the Fe 3p photoelectrons) of Fe/Cu(001) thin films is detected and ascribed to interactions within the majority spin subband. Such an assignment follows from a close comparison of the experimental AR-APECS line shapes with the predictions of a model based on spin polarized density functional theory and the Cini-Sawatzky approach.

Spin polarized metastable helium de-excitation processes on metal surfaces.

Spin polarized de-excitation of a metastable helium atom interacting with metal surfaces is treated within density functional theory. The method is based on a self-consistent calculation of the spin dependent electronic properties of the system, such as the surface density of states and the localized surface states, to compute the transition rate. On the high work function Ag(100) and Ag(111) surfaces, the helium 2s electron is delocalized in the metal and hence the transition rate is weakly spin dependent. The existence of a Shockley surface state in Ag(111) determines a neutralization rate that is about 59% larger than that from Ag(100). On a low work function metal, namely Na(100), the rate is of smaller magnitude than those on silver because the 2s triplet resonance is found to be more occupied. Consequently, emitted electrons can display a strong spin dependence also for a paramagnetic surface.

Dynamics of electron distributions probed by helium scattering.

Helium atom scattering (HAS) is the most important tool for surface science investigations. The analysis of helium scattering off a solid surface allows for a detailed analysis of its structural and dynamical properties. In this work we show how the dynamics of electron distributions at a metal surface can be investigated by HAS in the adiabatic approximation. First we examine the anticorrugating effect, namely the property of the He-surface potential of those metal systems in which the classical turning points of He beams are farther away from the surface layer at the bridge than at top sites. Anticorrugation for the system He/Cu(111) is examined in detail by a density functional theory (DFT) calculation and compared with the corrugating behaviour of He/Al(111). To explain such an effect the charge polarization of the system is crucial. Second we consider theoretically a surprising restricted diffusion result in the normal direction for Na adatoms on Cu(001) at coverages larger than 0.04 ML, obtained by measurements with spin polarized (3)He beams. From DFT calculations for this system a model for the description of the He-surface interaction based on the effective medium theory, which accounts for the observed phenomenon, is discussed. We show that the surface charge distribution probed by HAS is altered by the local concentration of the diffusing adatoms which is fluctuating with time and producing variations in the apparent height of the adatom measured by HAS. Our calculations demonstrate that such electronic dynamical rearrangements can be probed by the (3)He spin echo technique, which could be extended to other studies of surface electronic properties.

Selectivity of auger decays to the local surface environment.

The line shape of the Auger decay of adatoms is studied by a joint theoretical and experimental effort, the former within a DFT framework, and the latter with synchrotron radiation measurements. We investigate the KL(2,3)V Auger deexcitation of Na on Al(111), a system with different adsorption geometries. In particular, we study the (sqrt[3]xsqrt[3])R30 degrees phase at 1/3 ML (monolayer) and the more complex (2 x 2) structure at 1/2 ML coverage. From the comparison between theory and experiment, we unambiguously determine features that allow for the determination of the adsorption environment from the adatom Auger spectrum.

Corrugating and anticorrugating static interactions in helium-atom scattering from metal surfaces.

We perform a density-functional-theory calculation of the static repulsive potential of He scattering off a noble and a simple metal surface. The classical turning point of He on Cu(111) is found to be closer to the metal when the adatom is at top than at bridge site (anticorrugating effect). The potential of He on Al(111) is instead corrugated. By comparing the results of the two systems, we conclude that the He-metal anticorrugating effect occurs when the kinetic energy difference for He at top and bridge sites is larger than the electrostatic one, and an induced localized dipole on He is formed.