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Synthèse, structure électronique et comportement sous irradiation ...
Dans FEFF 9, le calcul FMS se fait par inversion de cette matrice. C'est l'étape du calcul qui est la plus gourmande en ressources informatiques. Sa taille ...
A Structural and Optical Insight on Ge-Sb-Te based ... - ArTS - UniTS
... calculated using FEFF algorithm, based on an ab- initio self-consistent method. Each path stores the effective backscattering amplitude. Feff,j(k), the phase ...
Ce document est le fruit d'un long travail approuvé par le jury de ...
Theoretical phase shifts and amplitude backscattering functions were calculated from the structural rnodel of u-Ni(OH)2 using FEFF6 code50 that takes into ...
Mécanismes d'incorporation des éléments traces ... - HAL Thèses
2 value used for the Feff calculation of phase-shift and amplitude functions is 1. R is the interatomic distance between the absorbing atom and the ...
Magnetic and structural properties of size-selected FeCo ...
since the difference in backscattering amplitude and phase shifts between the two species are very small [188, 189], and only the absorbed ...
L'APPORT DE LA SPECTROSCOPIE D'ABSORPTION ... - DICAMES
the backscattering amplitudes and the phase shifts parameters, the. FEFF6 code based on the ab initio multiple scattering calculations. [24] was used to ...
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