Extended analysis of satellite structures in particle induced X-ray emission spectra using molecular orbital calculations

Abstract

Methods for estimating intensity distributions of X-ray satellite spectra induced by accelerated ions with energies of a few McVlamu are reviewed, where the orbitals responsible for X-ray emission are written in the molecular frame, not in the atomic frame. The ionization cross section is written here in the frame of the direct Coulomb interaction and the shake process. The following two factors are taken into account: (1) changes in the number of orbital electrons due to molecular orbital formation and (2) deviation of the number of electric charges on the projectile ion from the nuclear charge Z. Here the semiclassical approximation (SCA) has been used to calculate the Coulomb interaction between the projectile ion and the orbital electrons. In order to estimate the intensity of X-rays emitted from multiply ionized states changes in the fluorescence yield from the yield of isolated atoms caused by resonant orbital rearrangement (ROR), were also taken into account. Furthermore the energy loss of the projectile ions and absorption of emitted X-rays in the material were taken into account. The agreement between the calculated and the observed X-ray satellite intensities is satisfactory when we use all the correction terms mentioned above.