相关论文: On the ab initio calculation of CVV Auger spectra …
We review the Cini-Sawatzky approach to the line shape analysis of Auger CVV transitions, in its basic and original formulation. Then, several extensions of the theory are reviewed, namely the inclusion spin-orbit coupling,…
CVV Auger electron spectra are calculated for a multi-band Hubbard model including correlations among the valence electrons as well as correlations between core and valence electrons. The interest is focused on the ferromagnetic…
We report the first direct observation of electron emission into the vacuum as a result of a VVV Auger transition resulting from the relaxation of a deep hole in the valence band. A beam of low energy (<1.25eV) positrons was used to deposit…
In high-resolution core-valence-valence (CVV) Auger electron spectroscopy from the surface of a solid at thermal equilibrium, the main correlation satellite, visible in the case of strong valence-electron correlations, corresponds to a…
Supercell method is used to study the relaxation and screening effects during the Auger transition in metals. In order to make the interaction between the core-holes sited at different atoms negligible, the real metal is simulated by…
In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…
We propose a computationally simple model of Auger and APECS line shapes from open-band solids. Part of the intensity comes from the decay of unscreened core-holes and is obtained by the two-body Green's function $G^{(2)}_{\omega}$, as in…
The emission of an Auger electron is the predominant relaxation mechanism of core-vacant states in molecules composed of light nuclei. In this non-radiative decay process, one valence electron fills the core vacancy while a second valence…
We report measurement of the valence-to-core (VTC) region of the K-shell x-ray emission spectra from several Zn and Fe inorganic compounds, and their critical comparison with several existing theoretical treatments. We find generally good…
A set of electron-correlation energies as large as 10 eV have been measured for a magnetic 2ML Fefilm deposited on Ag(001). By exploiting the spin selectivity in angle-resolved Auger-photoelectroncoincidence spectroscopy and the…
This research work introduces the DFT through FP-LAPW+lo technique in WIEN2k software to obtain information about structural, thermoelectric, and optoelectronic characteristics of CaZnC and CaZnSi materials. The structural optimization was…
The wurtzite (wz) structure of CdS is analyzed using density functional theory within the generalized gradient approximation (GGA) and Hubbard correction (GGA+U). The total energy convergence evaluation is carried out concerning energy…
We report quasiparticle-energy calculations of the electronic bandstructure as measured by valence-band photoemission for selected II-VI compounds and group-III-nitrides. By applying GW as perturbation to the ground state of the fictitious,…
A general set of methods is presented for calculating chemical potentials in solid and liquid mixtures using {\em ab initio} techniques based on density functional theory (DFT). The methods are designed to give an {\em ab initio} approach…
We calculate the spin- and temperature-dependent local density of states for ferromagnetic Ni in the presence of a core hole at a distinguished site in the lattice. Correlations among the valence electrons and between valence and core…
Auger analysis of high-aspect ratio contact holes of integrated microelectronic devices is a challenging analytical task. Due to geometrical shadowing the primary electron beam and the energy analyser have not the required direct line of…
We report the first coupled-cluster study of Auger decay in heavy metals. The zinc atom is used as a case study due to its relevance to the Auger emission properties of the $^{67}$Ga radionuclide. Coupled-cluster theory combined with…
The wavefunction in quantum field theory is an invaluable tool for tackling a variety of problems, including probing the interior of Minkowski spacetime and modelling boundary observables in de Sitter spacetime. Here we study the analytic…
In this work the influence of many-electron effects on the shape of characteristic X-ray emission bands of the simple metals Mg and Al are examined by means of ab initio calculations and semi-empirical models. These approaches are also used…
Photoelectron spectroscopy is an important tool for the development of new materials. However, especially for nitride semiconductors, the formation of surface oxides, surface band bending as well as the lack of a suitable charge reference…