Many-electron theory of x-ray photoelectron spectra: N-shell linewidths in the /sub 46/Pd to /sub 92/U range
The linewidths and energies of 4d holes (main lines in x-ray photoelectron spectra) are calculated for a number of elements in the range /sub 70/Yb to /sub 92/U, with use of nonrelativistic atomic many-body theory. The nonrelativistic Hartree-Fock frozen-core approximation for one-electron wave functions and Auger energies gives very good agreement with experiment. In the case of 4s and 4p holes, the Auger (in particular, super-Coster-Kronig) energies have to be calculated with inclusion of relaxation and relativistic effects. Combined with frozen-core, nonrelativistic one-electron wave functions, this gives good agreement with experimental energies and widths for 4s and 4p holes in /sub 80/Hg. In conclusion, it is very important to include the effects of two final-state holes on the Auger electron, as well as the polarization response which screens the Auger emission matrix element. This latter effect is largely equivalent to the so-called exchange interaction between the Auger electron and the final-state holes.
- Research Organization:
- Institute of Theoretical Physics, Chalmers University of Technology, S-41296 Goeteborg, Sweden
- OSTI ID:
- 5895498
- Journal Information:
- Phys. Rev. A; (United States), Vol. 31:4
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ELEMENTS
LINE WIDTHS
PHOTOELECTRON SPECTROSCOPY
ATOMIC NUMBER
AUGER EFFECT
COSTER-KRONIG TRANSITIONS
ELECTRONIC STRUCTURE
ENERGY LEVELS
HARTREE-FOCK METHOD
HOLES
N SHELL
WAVE FUNCTIONS
X RADIATION
ELECTROMAGNETIC RADIATION
ELECTRON SPECTROSCOPY
ENERGY-LEVEL TRANSITIONS
FUNCTIONS
IONIZING RADIATIONS
RADIATIONS
SPECTROSCOPY
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory