Calculation of Mg atom-metals XPS and Auger shifts using a ΔSCF excited atom model

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, , Citation D R Jennison et al 1984 J. Phys. C: Solid State Phys. 17 3701 DOI 10.1088/0022-3719/17/20/018

0022-3719/17/20/3701

Abstract

The excited atom model using Delta SCF Hartree-Fock calculations is tested on Mg metal. It is found that the valence configurations of the ground, one- and two-core-hole states may be unambiguously determined simply from the values of the atom-metal XPS and Auger shifts. The above state energies suggest 3s13p1, 3s23p1 and 3s23p2 configurations, respectively, in agreement with previously reported band-structure calculations and XES and Auger studies.

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10.1088/0022-3719/17/20/018