Citation:Kövér L (2015) Surfaces and interfaces: combining electronic structure and electron transport models for describing electron spectra. Front. Mater. 2:35. doi: 10.3389/fmats.2015.00035 Surfaces and interfaces: combining electronic structure and electron transport models for describing electron spectra There are many different types of physical and chemical phenomena reflected in electron spectra induced from atoms, molecules, nanostructures, and solids by photons or charged particles. Table 1 compares the spatial, time, and typical excitation energy scales of selected phenomena. The data (Krausz and Ivanov, 2009;Surdutovich and Solov'yov, 2014) in Table 1 demonstrate that the phenomena influencing electron spectra take place on very wide scales, sometimes encompassing differences of many orders of magnitude. This suggests the need for multiscale approaches when extracting electronic structure or chemical analytical information from electron spectra.
Electron SpectraElectron spectra induced from solids contain information on (i) the electronic structure (local at atomic, molecular, cluster, and surface/interface level -or delocalized in the bulk of the solid), different single or multiple excitations, and the chemical state resolved chemical composition; (ii) the (ordered, disordered, or amorphous) physical structure of the solid, as well as the lateral or indepth concentration distribution of the constituent chemical species, via effects of electron transport phenomena (including electron diffraction). While core and valence band photoelectron as well as Auger electron spectra reflect the structure of occupied electronic states, shake-up satellites, due to excitations localized at atomic or molecular level, reflect the structure of unoccupied electronic levels. In the case of shake-off excitations, the energy is continuously shared between the two emitted photoelectrons; therefore, the contribution of these phenomena cannot be separated in the photoelectron spectra from the continuous energy distribution background of electrons scattered inelastically in the solid. Shake-off excitations, however, result in energy loss satellite peaks in photoinduced Auger spectra.Core photoelectron peaks carry localized signatures characteristic of the atomic environment of the emitting atom, while valence band photoelectron spectra reflect properties of delocalized electronic states. On the other hand, information on the site projected density of valence electron states can be obtained from the analysis of core-core valence (CCV) or CVV Auger spectra. The shape of the core photoelectron lines can, however, be influenced by delocalized excitations (e.g., by excitation of electron-hole pairs in the conduction bands of metals or by "intrinsic" type plasmon excitations due to the appearance of the core hole).