A Critical Assessment of Multiple Scattering Expansions

We propose a comparative and critical assessment of multiple scattering expansions. The so-called multiple scattering series expansion is much used in the description of spectroscopies at higher energies. However, it is plagued with convergence problems when operated at lower energies. We compare this method to related methods that can be found in the literature, relying both on finite and infinite expansions. After discussing the pros and cons of these methods, we establish a simple alternative to multiple scattering series expansion which has a wider and faster range of convergence. [DOI: 10.1380/ejssnt.2012.599

Multiple-scattering approach with complex potential in the interpretation of electron and photon spectroscopies

International audienceWe present a unitary cluster approach to the calculation of several electron and photon spectroscopies, ranging from core and valence level photoelectron diffraction and absorption to electron, Auger and anomalous diffraction. Electron energy loss and Auger-photoelectron coincidence spectroscopies can also be treated in the same frame. This approach is based on multiple-scattering theory with a complex optical potential of the Hedin-Lundqvist type and is valid for all electron kinetic energies. Similarities and differences between these diffraction techniques are examined and cluster size convergence is discussed in connection with the electron mean free path. Applications to selected problems are presented to illustrate the method, both for structural and electronic analysis

Angular correlation between photoelectrons and Auger electrons within scattering theory RID G-2497-2011 RID G-7348-2011

In this paper we present a single-particle scattering approach for the angular correlation between a photoelectron and the subsequent Auger electron from atomic targets. This method is proposed as an alternative approach with respect to the usual density matrix formalism, since it is more convenient for extension to the solid state case. Such an extension is required by the great progress made in the field of coincidence spectroscopy in condensed matter systems. We derived a tensor expression for the cross section and an equivalent expression in terms of convenient angular functions has been treated for the case of linearly polarized light. Numerical calculations are performed for the L3M2,M-3(2),(3) transition in argon, in the single configuration Dirac-Fock scheme. Results are compared with experimental data for different final angular momentum states of the doubly charged ion and for different kinematical conditions

Multiple scattering approach for two-electron resonant emission studied by angle-resolved coincidence spectroscopy

We have developed a generalization of the multiple-scattering formalism to deal with Auger-photoelectron coincidence spectroscopy (APECS) in the solid state. We have merged the exact atomic treatment of the angular correlations between the two electrons and the single-particle approach, on which the multiple-scattering description of condensed matter relies. This allows the recovering, even in extended systems, of the entangled form of the electron-pair wave function characterizing the coincidence angular diffraction pattern. In the atomic limit our formalism correctly reproduces the cross section, as calculated within the statistical-tensors approach, usually employed in atomic physics. We have then performed numerical calculations for the Ge(100) L(3)M(45)M(45) APECS and compared the results with previous experiments. We found that, in the given geometry, the diffraction patterns in coincidence with different directions of the photoelectron keep little memory of the atomic anisotropy. We speculate on the conditions to be fulfilled in order to enhance the atomic-orbital sensitivity in APECS through solid-state diffraction effects